SCHEMBL9714658

SCHEMBL9714658

CCOC(=O)C(CCCCCC(=O)O)Sc1ccccc1

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PPARG P37231 7/20 0.44
PPARA Q07869 7/20 0.44
ALOX5 P09917 6/20 0.44
ALDH1A1 P00352 2/20 0.42
PTGES O14684 3/20 0.42
TDP1 Q9NUW8 1/20 0.42
MAPT P10636 1/20 0.40
RXFP1 Q9HBX9 1/20 0.40
HDAC3 O15379 1/20 0.40
HDAC4 P56524 1/20 0.40
HDAC1 Q13547 1/20 0.40
HDAC7 Q8WUI4 1/20 0.40
HDAC2 Q92769 1/20 0.40
HDAC10 Q969S8 1/20 0.40
HDAC11 Q96DB2 1/20 0.40
HDAC8 Q9BY41 1/20 0.40
HDAC6 Q9UBN7 1/20 0.40
HDAC9 Q9UKV0 1/20 0.40
HDAC5 Q9UQL6 1/20 0.40
TBXAS1 P24557 1/20 0.39

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
SCHEMBL9714629 0.91 CYP4F2 (0.46) PPARGPPARAALOX5ALDH1A1PTGES
SCHEMBL14723175 0.81 PPARG (0.51) PPARGPPARAALOX5ALDH1A1PTGES
SCHEMBL8856146 0.78 PPARG (0.52) PPARGPPARAALOX5ALDH1A1PTGES
SCHEMBL6656240 0.77 ALOX5 (0.49) PPARGPPARAALOX5PTGES
SCHEMBL22612304 0.76 PPARG (0.52) PPARGPPARAALOX5ALDH1A1PTGES
SCHEMBL17785156 0.76 PIN1 (0.42) PPARGPPARAALOX5ALDH1A1TDP1
SCHEMBL6928817 0.76 ALOX5 (0.48) PPARGPPARAALOX5PTGES
SCHEMBL28567055 0.76 TSHR (0.44) PPARGPPARAALOX5ALDH1A1PTGES
SCHEMBL8323519 0.75 ALOX5 (0.47) PPARGPPARAALOX5PTGES
SCHEMBL6929348 0.75 ALOX5 (0.53) PPARGPPARAALOX5PTGES

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-5166369-A Precursors and synthesis of D1-(methyl)-16,16-(dimethyl)-11-alpha, 15-alpha, beta-dihydroxy-9-oxo-2,13,-trans, trans-prostadienoates AMERICAN CYANAMID COMPANY 1992-11-24 US disclosed
US-4983753-A Precursors and synthesis of di-(methyl)-16,16-(dimethyl)-11-alpha,15-alpha beta-dihydroxy-9-oxo-2,13-trans,trans-prostadienoates FLOYD JR MIDDLETON B (US) 1991-01-08 US disclosed
EP-0065638-B1 SUBSTITUTED 7-(4-SUBSTITUTED-CYCLOPENT-2-EN-1-ON-2-YL)-HEPT-2-TRANSENOATES AMERICAN CYANAMID COMPANY (US) 1989-01-25 EP disclosed
US-4644079-A Precursors and synthesis of d1-(methyl)-16,16-(dimethyl)-11-alpha, 15-alpha, beta-dihydroxy-9-oxo-2,13,-trans, trans-prostadienoates AMERICAN CYANAMID COMPANY (US) 1987-02-17 US disclosed
US-4474979-A Synthesis of d1-(methyl)-16,16-(dimethyl-11-alpha, 15-alpha, beta-dihydroxy-9-oxo-2,13,-trans,trans-prostadienoates AMERICAN CYANAMID COMPANY (US) 1984-10-02 US disclosed
EP-0065638-A1 Substituted 7-(4-substituted-cyclopent-2-en-1-on-2-yl)-hept-2-transenoates AMERICAN CYANAMID COMPANY (US) 1982-12-01 EP disclosed
US-4360688-A Precursors and synthesis of d1-(methyl)-16,16-(dimethyl)-11-alpha, 15-alpha, beta-dihydroxy-9-oxo-2,13,-trans, trans-prostadienoates AMERICAN CYANAMID COMPANY (US) 1982-11-23 US disclosed
US-4254036-A 1-Hydroxymethyl-1-oxo-prostane-derivatives of the E, A and F-series AMERICAN CYANAMID COMPANY (US) 1981-03-03 US disclosed
EP-0015056-A1 1-Hydroxymethyl-1-oxo-prostane derivatives of the E, A and F series AMERICAN CYANAMID COMPANY (US) 1980-09-03 EP disclosed