SCHEMBL13201476

SCHEMBL13201476

CCc1ccc(COO)nc1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HRH3 Q9Y5N1 3/20 0.46
CYP1A2 P05177 1/20 0.45
CYP2D6 P10635 1/20 0.45
L3MBTL1 Q9Y468 3/20 0.43
KDM4E B2RXH2 2/20 0.43
PPARG P37231 2/20 0.39
NPC1 O15118 1/20 0.39
RAB9A P51151 1/20 0.39
SMN1; SMN2 Q16637 1/20 0.39
RXRA P19793 2/20 0.39
CYP3A4 P08684 1/20 0.39
KMT2A Q03164 5/20 0.38
MEN1 O00255 3/20 0.38
LMNA P02545 2/20 0.38
POLB P06746 1/20 0.36
TDP1 Q9NUW8 1/20 0.36
ALDH1A1 P00352 1/20 0.36
TP53 P04637 1/20 0.35
MAPT P10636 1/20 0.35
RXRB P28702 1/20 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
SCHEMBL14647730 0.82 HRH3 (0.47) HRH3CYP1A2CYP2D6L3MBTL1KDM4E
SCHEMBL12566580 0.81 HRH3 (0.46) HRH3CYP1A2CYP2D6L3MBTL1KDM4E
SCHEMBL30398570 0.79 HRH3 (0.55) HRH3CYP1A2CYP2D6L3MBTL1KDM4E
SCHEMBL487617 0.79 HRH3 (0.55) HRH3CYP1A2CYP2D6L3MBTL1KDM4E
SCHEMBL6167341 0.79 ALDH1A1 (0.44) HRH3CYP1A2CYP2D6L3MBTL1KDM4E
SCHEMBL20373352 0.78 HRH3 (0.44) HRH3CYP1A2CYP2D6L3MBTL1KDM4E
SCHEMBL2380517 0.78 HRH3 (0.50) HRH3CYP1A2CYP2D6L3MBTL1KDM4E
SCHEMBL5674817 0.77 HRH3 (0.43) HRH3CYP1A2CYP2D6L3MBTL1KDM4E
SCHEMBL13201434 0.75
SCHEMBL12545895 0.75 HRH3 (0.42) HRH3CYP1A2CYP2D6L3MBTL1KDM4E

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-7772285-B2 Benzophenone derivatives or salts thereof TOYAMA CHEMICAL CO., LTD. (JP) 2010-08-10 US disclosed