SCHEMBL8651087

SCHEMBL8651087

CC1(COc2ccc(C[N+]3([O-])NC(=O)CS3)cc2)CCCC(O)C1

nearest known ligand 0.42

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
▸ HPGD P15428 3/20 0.42
▸ MEN1 O00255 1/20 0.42
▸ ALDH1A1 P00352 1/20 0.42
▸ TP53 P04637 1/20 0.42
▸ CYP1A2 P05177 1/20 0.42
▸ CYP3A4 P08684 1/20 0.42
▸ MAPT P10636 1/20 0.42
▸ ALOX15 P16050 1/20 0.42
▸ TSHR P16473 1/20 0.42
▸ KMT2A Q03164 1/20 0.42
▸ HSD17B10 Q99714 1/20 0.42
▸ TDP1 Q9NUW8 1/20 0.42
▸ PARP1 P09874 1/20 0.35

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
SCHEMBL8654004 0.86 HPGD (0.50) HPGDMEN1ALDH1A1TP53CYP1A2
SCHEMBL1070520 0.73 CYP3A4 (0.77) HPGDMEN1ALDH1A1TP53CYP1A2
SCHEMBL2786303 0.71 HPGD (0.55) HPGDMEN1ALDH1A1TP53CYP1A2
SCHEMBL8651084 0.70 HPGD (0.40) HPGDMEN1ALDH1A1TP53CYP1A2
SCHEMBL12521788 0.63 CYP3A4 (0.75) HPGDMEN1ALDH1A1TP53CYP1A2
SCHEMBL12521810 0.60 CYP3A4 (0.61) HPGDMEN1ALDH1A1TP53CYP1A2
SCHEMBL11088249 0.60 CYP3A4 (0.79) HPGDMEN1ALDH1A1TP53CYP1A2
Ciglitazone SCHEMBL20125581 0.59 HPGD (1.00) HPGDMEN1ALDH1A1TP53CYP1A2
Ciglitazone SCHEMBL38185 0.59 HPGD (1.00) HPGDMEN1ALDH1A1TP53CYP1A2
Ciglitazone SCHEMBL20125576 0.59 HPGD (1.00) HPGDMEN1ALDH1A1TP53CYP1A2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-5814647-A ANTICARCINOGENIC AGENTS, ANTIDIABETIC AGENTS AND MENSTRUAL DISORDERS BOARD OF REGENTS, THE UNIVERSITY OF TEXAS SYSTEM (US) 1998-09-29 — — US claimed
US-5708012-A Use of thiazolidinedione derivatives and related antihyperglycemic agents in the treatment of insulin resistant subjects with normal glucose tolerance in order to prevent or delay the onset of noninsulin-dependent mellitus SANKYO COMPANY, LIMITED (JP) 1998-01-13 — — US claimed
US-5814647-A ANTICARCINOGENIC AGENTS, ANTIDIABETIC AGENTS AND MENSTRUAL DISORDERS BOARD OF REGENTS, THE UNIVERSITY OF TEXAS SYSTEM (US) 1998-09-29 — — US disclosed
US-5708012-A Use of thiazolidinedione derivatives and related antihyperglycemic agents in the treatment of insulin resistant subjects with normal glucose tolerance in order to prevent or delay the onset of noninsulin-dependent mellitus SANKYO COMPANY, LIMITED (JP) 1998-01-13 — — US disclosed
Send feedback