SCHEMBL6013570

SCHEMBL6013570

CCCc1ccccc1OC(C)O

nearest known ligand 0.54

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
ADRA2A P08913 3/20 0.51
ADRA2B P18089 3/20 0.51
ADRA2C P18825 3/20 0.51
HTR1A P08908 2/20 0.51
PPARD Q03181 1/20 0.40
ADRB2 P07550 5/20 0.40
ADRB1 P08588 4/20 0.40
NISCH Q9Y2I1 1/20 0.40
TAAR1 Q96RJ0 1/20 0.39
PPARG P37231 2/20 0.38
PPARA Q07869 2/20 0.38
LTB4R Q15722 1/20 0.38
LTB4R2 Q9NPC1 1/20 0.38
THRA P10827 1/20 0.38
THRB P10828 1/20 0.38
ALDH1A1 P00352 1/20 0.38

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
SCHEMBL10481827 0.89 THRA (0.46) ADRA2AADRA2BADRA2CHTR1AADRB2
SCHEMBL21989 0.86 THRA (0.54) ADRB2ADRB1PPARGPPARATHRA
SCHEMBL28552517 0.86 THRA (0.54) ADRB2ADRB1PPARGPPARATHRA
SCHEMBL382121 0.86 THRA (0.54) ADRB2ADRB1PPARGPPARATHRA
Ammonia Solution, Strong SCHEMBL11585182 0.85 THRA (0.52) ADRA2AADRA2BADRA2CHTR1AADRB2
SCHEMBL12844604 0.85 ADRA2A (0.54) ADRA2AADRA2BADRA2CHTR1APPARD
SCHEMBL22307794 0.85 ADRA2A (0.49) ADRA2AADRA2BADRA2CADRB2ADRB1
SCHEMBL20361845 0.84 HTR1A (0.47) ADRA2AADRA2BADRA2CHTR1APPARD
SCHEMBL10391006 0.84 ADRB2 (0.42) ADRA2AADRA2BADRA2CHTR1AADRB2
SCHEMBL14324634 0.81 ALDH1A1 (0.36) ADRA2AADRA2BADRA2CADRB2ADRB1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-109562989-B Optical fiber and method for manufacturing optical fiber 住友电气工业株式会社 2021-10-26 CN disclosed
CN-103913782-B Optical sheet and back light unit 惠和株式会社 2016-07-06 CN disclosed
US-7026369-B2 Aqueous emulsion composition and adherent composition MITSUI TAKEDA CHEMICALS, INC. (JP) 2006-04-11 US disclosed
US-20030036581-A1 Aqueous emulsion composition and adherent composition MITSUI TAKEDA CHEMICALS, INC. (JP) 2003-02-20 US disclosed
CN-1333467-A Optical fibre core and method for making optical fibre band SHIN ESTU CHEMICAL CO LTD (JP) 2002-01-30 CN disclosed
US-5863486-A PHOSPHORIC ACID ESTER OF A POLYETHER TAKEMOTO YUSHI KABUSHIKI KAISHA (JP) 1999-01-26 US disclosed
US-4273899-A POLYCARBONATE OF BROMINATED BISPHENOL TEIJIN LIMITED (JP) 1981-06-16 US disclosed
US-3959201-A High solids, water thinnable compositions PPG INDUSTRIES, INC. (US) 1976-05-25 US disclosed