SCHEMBL9150808

SCHEMBL9150808

O=C(Nc1cccc(O)c1C(=O)O)Oc1cccc(Oc2ccccc2)c1

nearest known ligand 0.69

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
▸ NPC1 O15118 1/20 0.55
▸ RAB9A P51151 1/20 0.55
▸ NPSR1 Q6W5P4 1/20 0.55
▸ KMT2A Q03164 3/20 0.50
▸ TRPV1 Q8NER1 1/20 0.48
▸ KDM4E B2RXH2 2/20 0.45
▸ ALDH1A1 P00352 1/20 0.45
▸ MAPT P10636 1/20 0.45
▸ AKR1C3 P42330 1/20 0.44
▸ P2RX3 P56373 1/20 0.41

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
SCHEMBL8655082 0.89 TRPV1 (0.55) NPC1RAB9ANPSR1KMT2ATRPV1
SCHEMBL9153721 0.87 KMT2A (0.54) NPC1RAB9ANPSR1KMT2ATRPV1
SCHEMBL9149728 0.86 TRPV1 (0.53) NPC1RAB9ANPSR1KMT2ATRPV1
SCHEMBL9150654 0.84 NPC1 (0.55) NPC1RAB9ANPSR1KMT2ATRPV1
SCHEMBL9150855 0.81 MEN1 (0.62) NPC1RAB9ANPSR1KMT2ATRPV1
SCHEMBL9149345 0.81 KMT2A (0.49) NPC1RAB9ANPSR1KMT2ATRPV1
SCHEMBL9148253 0.80 MAPT (0.46) NPC1RAB9ANPSR1KMT2ATRPV1
SCHEMBL8653617 0.78 KMT2A (0.45) NPC1RAB9ANPSR1KMT2ATRPV1
SCHEMBL8654717 0.78 MEN1 (0.51) NPC1RAB9ANPSR1KMT2ATRPV1
SCHEMBL8654626 0.78 GAA (0.56) NPC1RAB9AKMT2ATRPV1KDM4E

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-5476957-A Dye for heat sensitive recording MITSUI TOATSU CHEMICALS, INC. (JP) 1995-12-19 — — US disclosed
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