SCHEMBL7677040

SCHEMBL7677040

CCC(CC)c1cc(=O)oc2c(Oc3ccc(C)c(C)c3C)nc(C)cc12

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 8/20 0.40
ALDH1A1 P00352 7/20 0.40
HPGD P15428 5/20 0.38
HSD17B10 Q99714 3/20 0.38
GAA P10253 3/20 0.38
KMT2A Q03164 3/20 0.38
LMNA P02545 2/20 0.38
GLA P06280 2/20 0.38
MAPK1 P28482 1/20 0.38
MAPT P10636 3/20 0.36
ALPL P05186 1/20 0.36
ALPI P09923 1/20 0.36
NPSR1 Q6W5P4 1/20 0.36
TSHR P16473 1/20 0.36
L3MBTL1 Q9Y468 1/20 0.36
PON1 P27169 1/20 0.35
TP53 P04637 1/20 0.35
CASP1 P29466 1/20 0.35
HTT P42858 1/20 0.35
CASP7 P55210 1/20 0.35

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
SCHEMBL7017024 0.84 CRHR1 (0.46) CRHR1
SCHEMBL8468997 0.76 CRHR1 (0.36) CRHR1
SCHEMBL7015310 0.75 CRHR1 (0.45) CRHR1
SCHEMBL5867061 0.65 CRHR1 (0.48) CRHR1
SCHEMBL7012699 0.62 CRHR1 (0.46) CRHR1
SCHEMBL7016641 0.61 CRHR1 (0.47) CRHR1
SCHEMBL6393855 0.61 CRHR1 (0.63) CRHR1
SCHEMBL7020442 0.61 CRHR1 (0.49) CRHR1
SCHEMBL11437796 0.60 NQO1 (0.53) KDM4EALDH1A1HPGDHSD17B10LMNA
Hydrazine SCHEMBL6797950 0.60 CRHR1 (0.61) CRHR1

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
US-6492520-B1 COMPOUNDS (I) ARE CORTICOTROPIN RELEASING FACTOR (HORMONE) CRF (CRH) ANTAGONISTS. PFIZER INC 2002-12-10 US disclosed