SCHEMBL9634372

SCHEMBL9634372

COc1ccc(C2(C)CCc3cc(OC)ccc3C2CCCCC#N)cc1

nearest known ligand 0.44

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
SIGMAR1 Q99720 2/20 0.39
ADRB2 P07550 1/20 0.39
HTR1A P08908 1/20 0.39
ADRA2A P08913 1/20 0.39
ADRA2B P18089 1/20 0.39
SLC6A2 P23975 1/20 0.39
HTR2C P28335 1/20 0.39
HRH1 P35367 1/20 0.39
OPRM1 P35372 1/20 0.39
OPRK1 P41145 1/20 0.39
HTR2B P41595 1/20 0.39
HTR5A P47898 1/20 0.39
SLC6A3 Q01959 1/20 0.39
LMNA P02545 2/20 0.38
MAPT P10636 1/20 0.38
HSD17B1 P14061 1/20 0.38
RECQL P46063 1/20 0.38
SMN1; SMN2 Q16637 1/20 0.38
HSD17B10 Q99714 1/20 0.37

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
SCHEMBL10449740 0.84 SIGMAR1 (0.41) SIGMAR1ADRB2HTR1AADRA2AADRA2B
SCHEMBL5854961 0.82 SIGMAR1 (0.33) SIGMAR1ADRB2HTR1AADRA2AADRA2B
SCHEMBL10568561 0.82 RORC (0.44) LMNAMAPTHSD17B1RECQLSMN1; SMN2
SCHEMBL9635181 0.81 SIGMAR1 (0.40) SIGMAR1ADRB2HTR1AADRA2AADRA2B
SCHEMBL9862665 0.79 LMNA (0.42) SIGMAR1ADRB2HTR1AADRA2AADRA2B
SCHEMBL5855210 0.78 NMT2 (0.30) SIGMAR1ADRB2HTR1AADRA2AADRA2B
SCHEMBL9862607 0.77 FFAR1 (0.42)
SCHEMBL5348869 0.76 HTR2C (0.43) SIGMAR1ADRB2HTR1AADRA2AADRA2B
SCHEMBL14569853 0.76 HTR2C (0.43) SIGMAR1ADRB2HTR1AADRA2AADRA2B
SCHEMBL10594963 0.75 ESR1 (0.38) SIGMAR1ADRB2HTR1AADRA2AADRA2B

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0166509-B1 PHENOL DERIVATIVES IMPERIAL CHEMICAL INDUSTRIES PLC (GB) 1992-05-13 EP disclosed
US-4833135-A Antioestrogenic phenol derivatives IMPERIAL CHEMICAL INDUSTRIES PLC (GB) 1989-05-23 US disclosed