SCHEMBL7412458

SCHEMBL7412458

Cc1ccc(CC(C)(C)NC(=O)O)c(C)c1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 1/20 0.46
RAB9A P51151 1/20 0.46
MEN1 O00255 1/20 0.41
KMT2A Q03164 1/20 0.41
SSTR4 P31391 1/20 0.41
L3MBTL1 Q9Y468 2/20 0.40
KDM4E B2RXH2 1/20 0.40
PSMB5 P28074 2/20 0.39
PSMB8 P28062 1/20 0.39
CYP2C9 P11712 1/20 0.39
GUCY1A1 Q02108 1/20 0.38
GUCY1B1 Q02153 1/20 0.38
SMN1; SMN2 Q16637 2/20 0.38
SRC P12931 1/20 0.38
ALDH1A1 P00352 1/20 0.38
HTT P42858 1/20 0.38
HPGD P15428 1/20 0.38
ATM Q13315 1/20 0.38
LMNA P02545 1/20 0.38
EPHX2 P34913 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
SCHEMBL8801272 0.84 HDAC3 (0.42) SSTR4L3MBTL1P2RX7
SCHEMBL8802364 0.84 KDM4E (0.41) MEN1KMT2ASSTR4L3MBTL1KDM4E
SCHEMBL7412315 0.81 MEN1 (0.46) NPC1RAB9AMEN1KMT2AKDM4E
SCHEMBL8800587 0.80 KDM4E (0.46) MEN1KMT2ASSTR4L3MBTL1KDM4E
SCHEMBL7408911 0.79 SSTR4 (0.59) NPC1RAB9AMEN1KMT2ASSTR4
SCHEMBL7414592 0.77 SSTR4 (0.41) RAB9AMEN1KMT2ASSTR4CYP2C9
SCHEMBL3023153 0.74 TP53 (0.41) NPC1RAB9AMEN1KMT2AL3MBTL1
SCHEMBL3023150 0.74 PYCR1 (0.40) NPC1RAB9AMEN1KMT2AL3MBTL1
SCHEMBL16672904 0.74 PYCR1 (0.42) NPC1RAB9AMEN1KMT2AKDM4E
SCHEMBL7410939 0.71 L3MBTL1 (0.46) RAB9AMEN1KMT2AL3MBTL1KDM4E

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0640080-B1 SUBSTITUTED INDOLES AS ANGIOTENSIN II ANTAGONISTS SYNTEX INC (US) 1997-10-22 EP disclosed
EP-0640080-A1 SUBSTITUTED INDOLES AND AZAINDOLES AS ANGIOTENSIN II ANTAGONISTS. SYNTEX INC (US) 1995-03-01 EP disclosed
US-5380739-A Angiotensin II antagonists SYNTEX (U.S.A.) INC. (US) 1995-01-10 US disclosed
WO-1993023391-A1 SUBSTITUTED INDOLES AND AZAINDOLES AS ANGIOTENSIN II ANTAGONISTS SYNTEX (U.S.A.) INC. (US) 1993-11-25 WO disclosed
US-5212195-A Substituted indole antagonists derivatives which are angiotensin II SYNTEX (U.S.A.) INC. (US) 1993-05-18 US disclosed