SCHEMBL9998977

SCHEMBL9998977

CC(C)(C)c1ccc(/C=C/C(=O)NC2=COC=C(C3=CC=CCC3)O2)cc1

nearest known ligand 0.47

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
TRPV1 Q8NER1 11/20 0.47
RAB9A P51151 5/20 0.43
SMN1; SMN2 Q16637 5/20 0.43
NPC1 O15118 4/20 0.43
MAPT P10636 3/20 0.43
LMNA P02545 2/20 0.43
MAPK1 P28482 2/20 0.43
KDM4E B2RXH2 1/20 0.43
POLB P06746 1/20 0.43
HPGD P15428 1/20 0.43
MEN1 O00255 2/20 0.42
KMT2A Q03164 2/20 0.42
TSHR P16473 1/20 0.42
MTOR P42345 1/20 0.42
TNIK Q9UKE5 1/20 0.42
L3MBTL1 Q9Y468 1/20 0.41
IMPDH2 P12268 1/20 0.40
TP53 P04637 1/20 0.40

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
SCHEMBL5909450 0.77 KDM4E (0.31) RAB9ANPC1KDM4EHPGDMEN1
SCHEMBL1131639 0.77 L3MBTL1 (0.31) L3MBTL1
SCHEMBL5909366 0.74
SCHEMBL6858614 0.72 LMNA (0.46) TRPV1RAB9ASMN1; SMN2LMNAKDM4E
SCHEMBL5909459 0.71 LMNA (0.34) MAPTLMNAL3MBTL1
SCHEMBL1147539 0.69
SCHEMBL1011713 0.69 TRPV1 (0.46) TRPV1MAPK1MEN1KMT2ATP53
SCHEMBL589814 0.67 SMN1; SMN2 (0.39) RAB9ASMN1; SMN2NPC1MAPTLMNA
SCHEMBL5173833 0.67 MAPT (0.44) RAB9ASMN1; SMN2NPC1MAPTLMNA
Hydrochloric Acid SCHEMBL1016427 0.66 AGPAT2 (0.32) TRPV1RAB9ANPC1MAPTMAPK1

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-2585446-A1 COMPOUNDS HAVING TRPV1 ANTAGONISTIC ACTIVITY AND USES THEREOF Shionogi&Co., Ltd. (JP) 2013-05-01 EP disclosed
WO-2011162409-A1 COMPOUNDS HAVING TRPV1 ANTAGONISTIC ACTIVITY AND USES THEREOF SHIONOGI & CO., LTD. (JP) 2011-12-29 WO disclosed