SCHEMBL454127

SCHEMBL454127

Oc1cccc2c1CCCC2O

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ADRA2A P08913 1/20 0.51
DRD2 P14416 1/20 0.47
BCL2L1 Q07817 1/20 0.47
BAD Q92934 1/20 0.47
ESR1 P03372 1/20 0.45
ESR2 Q92731 1/20 0.45
KMT2A Q03164 1/20 0.45
TAS1R3 Q7RTX0 1/20 0.45
TAS1R1 Q7RTX1 1/20 0.45
TAS1R2 Q8TE23 1/20 0.45
UGT2B17 O75795 2/20 0.44
CYP1A1 P04798 1/20 0.43
CYP1A2 P05177 1/20 0.43
CYP2E1 P05181 1/20 0.43
CYP3A4 P08684 1/20 0.43
CYP2C8 P10632 1/20 0.43
CYP2D6 P10635 1/20 0.43
CYP2A6 P11509 1/20 0.43
CYP19A1 P11511 1/20 0.43
CYP2C9 P11712 1/20 0.43

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL29644747 1.00 ADRA2A (0.51) ADRA2ADRD2BCL2L1BADESR1
SCHEMBL9534010 0.88 ESR1 (0.51) DRD2ESR1ESR2CYP1A1CYP1A2
SCHEMBL13518633 0.88 ESR1 (0.51) DRD2ESR1ESR2CYP1A1CYP1A2
SCHEMBL21091917 0.82 ADRB2 (0.49) ADRA2AUGT2B17
SCHEMBL21091959 0.82 ADRB2 (0.49) ADRA2AUGT2B17
SCHEMBL12014020 0.81 UGT2B17 (0.58) ADRA2AKMT2ATAS1R3TAS1R1TAS1R2
SCHEMBL9822301 0.79 KMT2A (0.44) KMT2ATAS1R3TAS1R1TAS1R2UGT2B17
SCHEMBL4743515 0.79 ADRA2A (0.50) ADRA2ADRD2BCL2L1BADESR1
SCHEMBL12674518 0.79 ADRA2A (0.50) ADRA2ADRD2BCL2L1BADESR1
SCHEMBL13974016 0.79 KMT2A (0.44) ADRA2ADRD2KMT2AUGT2B17

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 579 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-112226052-B High-barrier modified polyester and preparation method thereof 中瀚新材料科技有限公司 2023-06-13 CN claimed
CN-116178663-A Thermoplastic polyurethane elastomer composition and preparation method thereof 万华化学集团股份有限公司 2023-05-30 CN claimed
CN-112409845-A Printing ink TCL集团股份有限公司 2021-02-26 CN claimed
CN-112226052-A High-barrier modified polyester and preparation method thereof 中瀚新材料科技有限公司 2021-01-15 CN claimed
EP-2701673-B1 DYE COMPOSITION USING A PARTICULAR PHENOLIC COUPLER IN A MEDIUM RICH IN FATTY SUBSTANCES, PROCESSES AND DEVICES L'ORÉAL (FR) 2017-09-13 EP claimed
EP-3096735-A1 GRADUAL HAIRCOLOR COMPOSITIONS AND METHODS OF USING THE SAME Combe International Ltd. (US) 2016-11-30 EP claimed
WO-2015112789-A1 GRADUAL HAIRCOLOR COMPOSITIONS AND METHODS OF USING THE SAME COMBE INTERNATIONAL LTD. (US) 2015-07-30 WO claimed
US-7066968-B2 Efficient two-step method of coloring and lightening hair with less damage UNILEVER HOME & PERSONAL CARE USA, DIVISION OF CONOPCO, INC. (US) 2006-06-27 US claimed
US-7041142-B2 Two step hair coloring compositions delivering deeper, long-lasting color UNILEVER HOME & PERSONAL CARE USA, DIVISION OF CONOPCO, INC. (US) 2006-05-09 US claimed
US-20060075580-A1 TWO STEP HAIR COLORING COMPOSITIONS DELIVERING DEEPER, LONG-LASTING COLOR UNILEVER HOME & PERSONAL CARE USA, DIVISION OF CONOPCO, INC. 2006-04-13 US claimed
EP-0269914-A1 Composition and process for the oxidative dyeing of hair on the basis of 3-(2',2',2'-trifluorethyl)aminophenol derivatives, and 3-(2',2',2'-trifluorethyl)aminophenol derivatives Wella Aktiengesellschaft (DE) 1988-06-08 EP claimed
EP-0252351-A1 5-Alkoxy-2,4-diamino-alkylbenzenes and hair dyes containing same Wella Aktiengesellschaft (DE) 1988-01-13 EP claimed
US-4713080-A OXIDATIVE COLORING WELLA AKTIENGESELLSCHAFT (DE) 1987-12-15 US claimed
US-4661114-A COUPLERS WELLA AKTIENGESELLSCHAFT (DE) 1987-04-28 US claimed
EP-0186210-A2 Ion sensor TERUMO KABUSHIKI KAISHA trading as TERUMO CORPORATION (JP) 1986-07-02 EP claimed
US-4563263-A PH ELECTRODE TERUMO CORPORATION (JP) 1986-01-07 US claimed
EP-0056283-B1 ION SENSOR TERUMO CORPORATION (JP) 1985-07-31 EP claimed
US-4473375-A COUPLER AND DEVELOPER FOR OXIDATION COLOR DYES WELLA AKTIENGESELLSCHAFT (DE) 1984-09-25 US claimed
EP-0056283-A1 Ion sensor TERUMO CORPORATION (JP) 1982-07-21 EP claimed
US-4321053-A Hair dyeing composition and process WELLA AKTIENGESELLSCHAFT (DE) 1982-03-23 US claimed