SCHEMBL7825824

SCHEMBL7825824

CCOc1ccc(NC(=O)c2c(Cl)c(Cl)c(Cl)c(Cl)c2C(=O)O)cc1

nearest known ligand 0.61

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ TAS1R3 Q7RTX0 2/20 0.61
▸ TAS1R1 Q7RTX1 2/20 0.61
▸ SMN1; SMN2 Q16637 5/20 0.58
▸ NPC1 O15118 7/20 0.56
▸ RAB9A P51151 5/20 0.56
▸ LMNA P02545 3/20 0.56
▸ MAPT P10636 2/20 0.56
▸ KDM4E B2RXH2 4/20 0.56
▸ MITF O75030 1/20 0.56
▸ PKM P14618 1/20 0.56
▸ KMT2A Q03164 5/20 0.55
▸ MEN1 O00255 4/20 0.55
▸ CYP1A2 P05177 2/20 0.55
▸ POLB P06746 2/20 0.55
▸ TDP1 Q9NUW8 1/20 0.55
▸ ALDH1A1 P00352 3/20 0.55
▸ P4HTM Q9NXG6 2/20 0.54
▸ TP53 P04637 3/20 0.53
▸ GAA P10253 1/20 0.53
▸ ALOX15 P16050 1/20 0.53

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
SCHEMBL12189568 0.86 FAAH (0.56) TP53GAAHTT
SCHEMBL12835024 0.86 FAAH (0.56) TP53GAAHTT
SCHEMBL12189542 0.86 FAAH (0.56) TP53GAAHTT
SCHEMBL12189553 0.84 NPC1 (0.57) TAS1R3TAS1R1SMN1; SMN2NPC1RAB9A
SCHEMBL12172966 0.81 LMNA (0.58) SMN1; SMN2NPC1RAB9ALMNAMAPT
SCHEMBL12189601 0.80 PGR (0.60) SMN1; SMN2LMNAMAPTKMT2AMEN1
SCHEMBL12172975 0.79 RAB9A (0.53) SMN1; SMN2NPC1RAB9ALMNAMAPT
SCHEMBL7824986 0.79 CYP1A2 (0.55) SMN1; SMN2NPC1RAB9ALMNAMAPT
SCHEMBL16168014 0.78 HSD17B10 (0.42) TAS1R3TAS1R1SMN1; SMN2NPC1RAB9A
SCHEMBL11252690 0.78 EPHX2 (0.56) SMN1; SMN2NPC1RAB9AMAPTKMT2A

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1091958-A1 SALTS OF PAROXETINE SMITHKLINE BEECHAM PLC (GB) 2001-04-18 — — EP disclosed
WO-2000001692-A1 SALTS OF PAROXETINE SMITHKLINE BEECHAM PLC (GB) 2000-01-13 — — WO disclosed
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