SCHEMBL6110658

SCHEMBL6110658

Cc1cc(OBOc2ccc(C#N)c(C)c2)ccc1C#N

nearest known ligand 0.48

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
AR P10275 11/20 0.43
MRGPRX4 Q96LA9 1/20 0.43
TSHR P16473 1/20 0.42
ESRRA P11474 1/20 0.36
SLC22A12 Q96S37 1/20 0.35
PGR P06401 1/20 0.35
KDM4E B2RXH2 1/20 0.34
USP2 O75604 1/20 0.34
ALDH1A1 P00352 1/20 0.34
MAOB P27338 2/20 0.34

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
SCHEMBL4359014 0.82 MAOB (0.49) ARKDM4EUSP2ALDH1A1MAOB
SCHEMBL509379 0.80 AR (0.50) ARMRGPRX4TSHRPGRKDM4E
SCHEMBL25680960 0.78 AR (0.44) ARMRGPRX4TSHRESRRASLC22A12
SCHEMBL1668579 0.78 AR (0.61) ARPGRKDM4EUSP2ALDH1A1
SCHEMBL1277499 0.77 TRPV4 (0.50) ARSLC22A12
SCHEMBL24074650 0.76 AR (0.46) ARMRGPRX4TSHRKDM4EALDH1A1
SCHEMBL16255446 0.76 MRGPRX4 (0.51) ARMRGPRX4TSHRKDM4EALDH1A1
SCHEMBL177356 0.74 TDP1 (0.44) ALDH1A1
SCHEMBL29804592 0.74 TDP1 (0.44) ALDH1A1
SCHEMBL17623897 0.74 AR (0.53) ARMRGPRX4TSHRALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2006134481-A1 INHIBITORS OF 11-BETA HYDROXYSTEROID DEHYDROGENASE TYPE 1 PFIZER INC. (US) 2006-12-21 WO disclosed