SCHEMBL9550355

SCHEMBL9550355

Nc1cc(OCc2ccccc2)c(C(=O)O)cc1Cl

nearest known ligand 0.58

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
FOLH1 Q04609 1/20 0.55
PTGER1 P34995 3/20 0.53
MCL1 Q07820 3/20 0.53
HPGD P15428 2/20 0.50
TP53 P04637 2/20 0.50
RXRA P19793 1/20 0.50
RXRB P28702 1/20 0.50
KDM4E B2RXH2 1/20 0.50
ALDH1A1 P00352 1/20 0.50
POLB P06746 1/20 0.50
L3MBTL1 Q9Y468 1/20 0.50
CHRM4 P08173 1/20 0.50
CHRM3 P20309 1/20 0.50
CLCN2 P51788 1/20 0.50
MEN1 O00255 1/20 0.50
NPC1 O15118 1/20 0.50
MITF O75030 1/20 0.50
XBP1 P17861 1/20 0.50
NFKB1 P19838 1/20 0.50
RAB9A P51151 1/20 0.50

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
SCHEMBL9550346 0.89 RXRA (0.56) PTGER1HPGDTP53RXRARXRB
SCHEMBL19554264 0.89 MRGPRX4 (0.53) FOLH1PTGER1MCL1HPGDTP53
SCHEMBL9550479 0.87 NPC1 (0.47) FOLH1HPGDTP53MEN1NPC1
SCHEMBL383618 0.87 FOLH1 (0.58) FOLH1PTGER1MCL1HPGDTP53
SCHEMBL10089235 0.83 FOLH1 (0.69) FOLH1PTGER1MCL1KDM4EALDH1A1
SCHEMBL20400911 0.83 FOLH1 (0.55) FOLH1PTGER1MCL1KDM4EALDH1A1
SCHEMBL21327232 0.82 MRGPRX4 (0.61) FOLH1PTGER1MCL1HPGDRXRA
SCHEMBL2565901 0.82 GAA (0.50) HPGDTP53RXRARXRBKDM4E
SCHEMBL28173965 0.81 FOLH1 (0.56) FOLH1PTGER1MCL1KDM4EALDH1A1
SCHEMBL16432058 0.80 FOLH1 (0.55) FOLH1PTGER1MCL1KDM4EALDH1A1

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-5236931-A Treating anxiety, psychosis, cognitive dysfunction, migrane, cluster headache, trigeminal neuralgia emesis and impaired gastric motility A. H. ROBINS COMPANY, INCORPORATED (US) 1993-08-17 US disclosed