SCHEMBL8654004

SCHEMBL8654004

CC1(COc2ccc(C[N+]3([O-])NC(=O)CS3)cc2)CCCCC1

nearest known ligand 0.50

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
▸ HPGD P15428 3/20 0.50
▸ ALDH1A1 P00352 2/20 0.50
▸ MEN1 O00255 1/20 0.50
▸ TP53 P04637 1/20 0.50
▸ CYP1A2 P05177 1/20 0.50
▸ CYP3A4 P08684 1/20 0.50
▸ MAPT P10636 1/20 0.50
▸ ALOX15 P16050 1/20 0.50
▸ TSHR P16473 1/20 0.50
▸ KMT2A Q03164 1/20 0.50
▸ HSD17B10 Q99714 1/20 0.50
▸ TDP1 Q9NUW8 1/20 0.50
▸ PARP1 P09874 1/20 0.47
▸ PPARG P37231 1/20 0.36
▸ ACACB O00763 1/20 0.33

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
SCHEMBL8651087 0.86 HPGD (0.42) HPGDALDH1A1MEN1TP53CYP1A2
SCHEMBL9440328 0.68 HPGD (0.53) HPGDALDH1A1MEN1TP53CYP1A2
SCHEMBL508167 0.68 HPGD (0.53) HPGDALDH1A1MEN1TP53CYP1A2
SCHEMBL9440267 0.68 HPGD (0.54) HPGDALDH1A1MEN1TP53CYP1A2
Hydrochloric Acid SCHEMBL507244 0.67 HPGD (0.52) HPGDALDH1A1MEN1TP53CYP1A2
Ciglitazone SCHEMBL20125576 0.67 HPGD (1.00) HPGDALDH1A1MEN1TP53CYP1A2
SCHEMBL6517570 0.67 POLB (0.51) HPGDALDH1A1MEN1TP53CYP1A2
Ciglitazone SCHEMBL38185 0.67 HPGD (1.00) HPGDALDH1A1MEN1TP53CYP1A2
Ciglitazone SCHEMBL20125581 0.67 HPGD (1.00) HPGDALDH1A1MEN1TP53CYP1A2
SCHEMBL9440408 0.66 HPGD (0.54) HPGDALDH1A1MEN1TP53CYP1A2

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
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-5814647-A ANTICARCINOGENIC AGENTS, ANTIDIABETIC AGENTS AND MENSTRUAL DISORDERS BOARD OF REGENTS, THE UNIVERSITY OF TEXAS SYSTEM (US) 1998-09-29 — — US disclosed
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