SCHEMBL14747475

SCHEMBL14747475

CCCOc1ccc(C2CC2C(=O)O)cc1

nearest known ligand 0.52

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
FFAR1 O14842 5/20 0.52
RAB9A P51151 1/20 0.51
CYP4F2 P78329 4/20 0.48
CYP4A11 Q02928 4/20 0.48
ALDH1A1 P00352 3/20 0.48
MAPT P10636 1/20 0.48
LMNA P02545 3/20 0.48
L3MBTL1 Q9Y468 2/20 0.48
MAPK1 P28482 1/20 0.47
TSHR P16473 1/20 0.47
KDM4E B2RXH2 1/20 0.46
PLK1 P53350 1/20 0.45

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
SCHEMBL10272652 0.94 RAB9A (0.58) FFAR1RAB9ACYP4F2CYP4A11MAPK1
SCHEMBL2776604 0.88 FFAR1 (0.55) FFAR1CYP4F2CYP4A11L3MBTL1TSHR
SCHEMBL2776602 0.88 FFAR1 (0.55) FFAR1CYP4F2CYP4A11L3MBTL1TSHR
SCHEMBL12577538 0.86 FFAR1 (0.53) FFAR1RAB9ACYP4F2CYP4A11ALDH1A1
SCHEMBL12976712 0.82 RAB9A (0.46) RAB9AALDH1A1MAPTLMNAL3MBTL1
SCHEMBL31729334 0.82 FFAR1 (0.52) FFAR1RAB9ACYP4F2CYP4A11MAPT
SCHEMBL15091893 0.82 FFAR1 (0.52) FFAR1RAB9ACYP4F2CYP4A11MAPT
SCHEMBL14882215 0.80 FFAR1 (0.48) FFAR1RAB9ACYP4F2CYP4A11MAPT
SCHEMBL14880570 0.80 FFAR1 (0.48) FFAR1RAB9ACYP4F2CYP4A11MAPT
SCHEMBL10289077 0.79 RAB9A (0.57) FFAR1RAB9AALDH1A1MAPTLMNA

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-8389580-B2 Arylcyclopropylamines and methods of use DUKE UNIVERSITY (US) 2013-03-05 US disclosed