SCHEMBL9714629

SCHEMBL9714629

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

nearest known ligand 0.49

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
CYP4F2 P78329 1/20 0.46
CYP4A11 Q02928 1/20 0.46
ALDH1A1 P00352 1/20 0.45
ALOX5 P09917 5/20 0.43
PPARG P37231 3/20 0.43
PPARA Q07869 3/20 0.43
NAMPT P43490 1/20 0.42
CYP3A4 P08684 1/20 0.42
CYP2D6 P10635 1/20 0.42
CYP2C19 P33261 1/20 0.42
PTGES O14684 2/20 0.41
PTGDR2 Q9Y5Y4 1/20 0.41
KMT2A Q03164 1/20 0.41
SMN1; SMN2 Q16637 1/20 0.41
TDP1 Q9NUW8 1/20 0.41
TOP2A P11388 1/20 0.41
FAAH O00519 1/20 0.41

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
SCHEMBL9714658 0.91 PPARG (0.44) ALDH1A1ALOX5PPARGPPARAPTGES
SCHEMBL28567055 0.80 TSHR (0.44) ALDH1A1ALOX5PPARGPPARAPTGES
SCHEMBL3836107 0.77 CYP4F2 (0.52) CYP4F2CYP4A11ALDH1A1ALOX5NAMPT
SCHEMBL8856146 0.77 PPARG (0.52) ALDH1A1ALOX5PPARGPPARAPTGES
SCHEMBL7364397 0.76 HDAC1 (0.57) CYP4F2CYP4A11ALDH1A1NAMPTPTGDR2
SCHEMBL711239 0.76 CYP3A4 (0.52) CYP4F2CYP4A11ALDH1A1ALOX5PPARG
SCHEMBL9811164 0.76 MAPT (0.53) ALDH1A1PPARGPPARAKMT2A
SCHEMBL6656240 0.76 ALOX5 (0.49) ALOX5PPARGPPARAPTGES
SCHEMBL17785156 0.75 PIN1 (0.42) ALDH1A1ALOX5PPARGPPARACYP2C19
SCHEMBL433489 0.75 LMNA (0.51) CYP4F2CYP4A11ALDH1A1ALOX5PPARG

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