SCHEMBL7808281

SCHEMBL7808281

C=C[C@@H](C)c1ccccc1

nearest known ligand 0.47

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
TRPA1 O75762 3/20 0.47
TAAR1 Q96RJ0 3/20 0.41
LMNA P02545 2/20 0.39
ADRA2A P08913 1/20 0.39
ADRA2C P18825 1/20 0.39
CYP2D6 P10635 1/20 0.39
HIF1A Q16665 1/20 0.39
KDM4E B2RXH2 1/20 0.39
ALDH1A1 P00352 2/20 0.38
DPP4 P27487 2/20 0.38
TSHR P16473 1/20 0.38
CYP2C19 P33261 1/20 0.38
F2 P00734 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
SCHEMBL132606 1.00 TRPA1 (0.47) TRPA1TAAR1LMNAADRA2AADRA2C
SCHEMBL9719434 1.00 TRPA1 (0.47) TRPA1TAAR1LMNAADRA2AADRA2C
SCHEMBL27866699 0.89 TRPA1 (0.44) TRPA1LMNAADRA2AADRA2CHIF1A
Styrene SCHEMBL8948454 0.89 ALDH1A1 (0.58) TRPA1LMNAADRA2AADRA2CCYP2D6
Styrene SCHEMBL16167382 0.87 ALDH1A1 (0.56) TRPA1LMNAADRA2AADRA2CCYP2D6
SCHEMBL7775718 0.80 TRPA1 (0.44) TRPA1TAAR1LMNAADRA2AADRA2C
SCHEMBL4107537 0.79 TYR (0.46) LMNACYP2D6HIF1AKDM4E
SCHEMBL6860167 0.79 TRPA1 (0.47) TRPA1TAAR1LMNAADRA2AADRA2C
SCHEMBL5466658 0.78 TSHR (0.39) TRPA1TAAR1LMNAKDM4EALDH1A1
SCHEMBL9474715 0.78 TRPA1 (0.34) TRPA1TAAR1LMNAKDM4EALDH1A1

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
EP-0647647-B1 Tertiary phosphine compound and transition metal complex comprising the same as ligand SUMITOMO CHEMICAL CO (JP) 2001-10-24 EP disclosed
US-5523437-A Tertiary phosphine compound and transition metal complex comprising the same as ligand SUMITOMO CHEMICAL CO., LTD. (JP) 1996-06-04 US disclosed
EP-0647647-A1 Tertiary phosphine compound and transition metal complex comprising the same as ligand SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 1995-04-12 EP disclosed
EP-0247595-B1 NEW AZAPHOSPHOLONES AND USE THEREOF Studiengesellschaft Kohle mbH (DE) 1992-01-02 EP disclosed
US-4912274-A Azaphospholenes and use thereof STUDIENGESELLSCHAFT KOHLE MBH (DE) 1990-03-27 US disclosed
US-4900866-A Azaphospholenes STUDIENGESELLSCHAFT KOHLE MBH (DE) 1990-02-13 US disclosed
US-4827067-A Azaphospholenes and use thereof STUDIENGESELLSCHAFT KOHLE MBH (DE) 1989-05-02 US disclosed
EP-0247595-A2 New azaphospholones and use thereof Studiengesellschaft Kohle mbH (DE) 1987-12-02 EP disclosed