SCHEMBL3915442

SCHEMBL3915442

C=CCOS(=O)(=O)c1ccccc1CC=C

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GABRA1 P14867 1/20 0.36
GABRB2 P47870 1/20 0.36
ALDH1A1 P00352 2/20 0.35
KDM4E B2RXH2 2/20 0.35
CYP3A4 P08684 1/20 0.35
POLB P06746 1/20 0.35
ADRB2 P07550 3/20 0.33
ADRB1 P08588 3/20 0.33
LMNA P02545 2/20 0.33
HTR1A P08908 1/20 0.33
ADRB3 P13945 1/20 0.33
ADRA2C P18825 1/20 0.33
SLC6A2 P23975 1/20 0.33
BDKRB2 P30411 1/20 0.33
SLC6A4 P31645 1/20 0.33
ADRA1A P35348 1/20 0.33
HTR2B P41595 1/20 0.33
KCNH2 Q12809 1/20 0.33
CYP1A2 P05177 1/20 0.33
CYP2D6 P10635 1/20 0.33

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
SCHEMBL10612316 0.87 CTSB (0.41) ALDH1A1CYP3A4TSHRPTPRCTDP1
SCHEMBL27597413 0.86 CYP3A4 (0.41) ALDH1A1KDM4ECYP3A4POLBTSHR
SCHEMBL11135993 0.85 ALDH1A1 (0.35) GABRA1GABRB2ALDH1A1KDM4EPOLB
SCHEMBL4563849 0.84 GABRA1 (0.39) GABRA1GABRB2ALDH1A1KDM4EPOLB
SCHEMBL8069667 0.83 CA2 (0.40) ALDH1A1KDM4EPOLBLMNACYP1A2
SCHEMBL11635082 0.83 ADRB2 (0.39) GABRA1GABRB2ALDH1A1KDM4EPOLB
SCHEMBL7199071 0.81 GABRA1 (0.36) GABRA1GABRB2ALDH1A1KDM4ECYP3A4
SCHEMBL7135417 0.81 GABRA1 (0.44) GABRA1GABRB2ALDH1A1KDM4EPOLB
SCHEMBL968801 0.81 GABRA1 (0.37) GABRA1GABRB2ALDH1A1KDM4EPOLB
SCHEMBL8964103 0.81 GABRA1 (0.37) GABRA1GABRB2ALDH1A1KDM4EPOLB

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 18 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-4824888-A VISCOSITY, POLYURETHANE PREPOLYMERS HENKEL KOMMANDITGESELLSCHAFT AUF AKTIEN (DE) 1989-04-25 US claimed
US-4246165-A FOR USE IN SHELL MOLD CASTING OF ALUMINUM ALLOYS NISSAN MOTOR COMPANY, LIMITED (JP) 1981-01-20 US claimed
CN-117965149-A Oil displacement agent composition and application thereof 中国石油化工股份有限公司 2024-05-03 CN disclosed
CN-102197074-A Method for manufacturing polyurethane foam wound dressing BAYER MATERIALSCIENCE AG 2011-09-21 CN disclosed
US-7556911-B2 Titanocene based compound, photosensitive composition, photosensitive transfer sheet and pattern forming method FUJIFILM CORPORATION (JP) 2009-07-07 US disclosed
US-20070212642-A1 Titanocene based compound, photosensitive composition, photosensitive transfer sheet and pattern forming method FUJIFILM CORPORATION (JP) 2007-09-13 US disclosed
CN-1200143-A Concentrated aqueous liquid detergent compositions COLGATE PALMOLIVE CO (US) 1998-11-25 CN disclosed
US-5723388-A Prepreg of ultra-high-molecular-weight polyethylene NIPPON OIL CO., LTD. (JP) 1998-03-03 US disclosed
US-5612125-A Process for producing prepreg NIPPON OIL CO., LTD. (JP) 1997-03-18 US disclosed
EP-0515992-B1 Process for producing prepreg NIPPON OIL CO LTD (JP) 1995-08-09 EP disclosed
EP-0515992-A1 Process for producing prepreg NIPPON OIL CO. LTD. (JP) 1992-12-02 EP disclosed
EP-0103416-B2 Peroxyacid bleach compositions THE PROCTER & GAMBLE COMPANY (US) 1990-08-16 EP disclosed
US-4824888-A VISCOSITY, POLYURETHANE PREPOLYMERS HENKEL KOMMANDITGESELLSCHAFT AUF AKTIEN (DE) 1989-04-25 US disclosed
EP-0124367-B1 DETERGENT COMPOSITIONS UNILEVER N.V. (NL) 1988-01-13 EP disclosed
US-4576744-A HYDROPHILIC POLYMERS AS FOAM STABILIZERS LEVER BROTHERS COMPANY (US) 1986-03-18 US disclosed
EP-0124367-A2 Detergent compositions UNILEVER N.V. (NL) 1984-11-07 EP disclosed
EP-0071410-A2 Detergent compositions UNILEVER N.V. (NL) 1983-02-09 EP disclosed
US-4246165-A FOR USE IN SHELL MOLD CASTING OF ALUMINUM ALLOYS NISSAN MOTOR COMPANY, LIMITED (JP) 1981-01-20 US disclosed