SCHEMBL2656269

SCHEMBL2656269

CCC(Oc1cccc(C(=O)O)c1)C(=O)Nc1nccs1

nearest known ligand 0.59

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ HPGD P15428 3/20 0.59
▸ NPC1 O15118 3/20 0.59
▸ RAB9A P51151 3/20 0.59
▸ SMN1; SMN2 Q16637 2/20 0.59
▸ RECQL P46063 1/20 0.53
▸ ALDH1A1 P00352 3/20 0.51
▸ MEN1 O00255 2/20 0.50
▸ KMT2A Q03164 2/20 0.50
▸ POLB P06746 1/20 0.50
▸ LMNA P02545 2/20 0.49
▸ L3MBTL1 Q9Y468 2/20 0.49
▸ CYP1A2 P05177 1/20 0.49
▸ CYP3A4 P08684 1/20 0.49
▸ CYP2D6 P10635 1/20 0.49
▸ CYP2C9 P11712 1/20 0.49
▸ CYP2C19 P33261 1/20 0.49
▸ MAPT P10636 1/20 0.48
▸ HSPA5 P11021 2/20 0.48
▸ PKM P14618 1/20 0.48
▸ HSPA9 P38646 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
SCHEMBL2656142 0.88 MEN1 (0.57) HPGDNPC1RAB9ASMN1; SMN2ALDH1A1
SCHEMBL2656759 0.87 HPGD (0.54) HPGDNPC1RAB9ASMN1; SMN2RECQL
SCHEMBL14223786 0.87 LMNA (0.61) HPGDNPC1RAB9ASMN1; SMN2RECQL
SCHEMBL14194995 0.81 PPARA (0.48) HPGDNPC1RAB9ASMN1; SMN2RECQL
SCHEMBL2656267 0.80 NPC1 (0.56) HPGDNPC1RAB9ASMN1; SMN2ALDH1A1
SCHEMBL1565655 0.77 HSPA5 (0.52) HPGDNPC1RAB9ASMN1; SMN2LMNA
SCHEMBL2656595 0.76 NPC1 (0.56) HPGDNPC1RAB9ASMN1; SMN2ALDH1A1
SCHEMBL27652020 0.75 RAB9A (0.74) HPGDNPC1RAB9ASMN1; SMN2RECQL
SCHEMBL1564841 0.74 CYP1A2 (0.55) HPGDNPC1RAB9ASMN1; SMN2ALDH1A1
SCHEMBL12858465 0.73 GCK (0.74) —

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-2125735-A2 2,2,2-TRI-SUBSTITUTED ACETAMIDE DERIVATIVES AS GLUCOKINASE ACTIVATORS, THEIR PROCESS AND PHARMACEUTICAL APPLICATION Advinus Therapeutics Private Limited (IN) 2009-12-02 — — EP disclosed
WO-2008104994-A2 2,2,2-TRI-SUBSTITUTED ACETAMIDE DERIVATIVES AS GLUCOKINASE ACTIVATORS, THEIR PROCESS AND PHARMACEUTICAL APPLICATION ADVINUS THERAPEUTICS PRIVATE LIMITED (IN) 2008-09-04 — — WO disclosed
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