SCHEMBL9550346

SCHEMBL9550346

Nc1cc(OCc2cccc(Cl)c2)c(C(=O)O)cc1Cl

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RXRA P19793 1/20 0.56
RXRB P28702 1/20 0.56
RXRG P48443 1/20 0.56
MRGPRX4 Q96LA9 8/20 0.53
NR4A2 P43354 1/20 0.52
MAOB P27338 5/20 0.50
MAOA P21397 2/20 0.49
MEN1 O00255 1/20 0.49
NPC1 O15118 1/20 0.49
MITF O75030 1/20 0.49
TP53 P04637 1/20 0.49
HPGD P15428 1/20 0.49
XBP1 P17861 1/20 0.49
NFKB1 P19838 1/20 0.49
RAB9A P51151 1/20 0.49
NFKB2 Q00653 1/20 0.49
KMT2A Q03164 1/20 0.49
RELA Q04206 1/20 0.49
SMN1; SMN2 Q16637 1/20 0.49
FFAR1 O14842 1/20 0.48

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
SCHEMBL9550355 0.89 FOLH1 (0.55) RXRARXRBMRGPRX4MEN1NPC1
SCHEMBL9550479 0.88 NPC1 (0.47) MRGPRX4MEN1NPC1MITFTP53
SCHEMBL3814086 0.82 PTGER1 (0.64) RXRARXRBRXRGMRGPRX4NR4A2
SCHEMBL1388211 0.80 PTGER1 (0.60) RXRARXRBRXRGMRGPRX4NR4A2
SCHEMBL1648397 0.79 LRRK2 (0.67) RXRARXRBRXRGMRGPRX4NR4A2
SCHEMBL19554264 0.79 MRGPRX4 (0.53) RXRARXRBMRGPRX4MEN1NPC1
SCHEMBL20535332 0.78 MRGPRX4 (0.57) MRGPRX4MAOB
SCHEMBL9623127 0.78 MRGPRX4 (0.43) MRGPRX4MEN1NPC1MITFTP53
SCHEMBL2902027 0.77 RXRA (0.68) RXRARXRBRXRGMRGPRX4NR4A2
SCHEMBL5839670 0.77 FABP3 (0.68) RXRARXRBRXRGMRGPRX4NR4A2

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