SCHEMBL11770922

SCHEMBL11770922

CCCCCCCC[C@H]1CC[C@H](O)[C@@H]1CCCCCCC(=O)O

nearest known ligand 0.59

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALOX5 P09917 1/20 0.59
TBXA2R P21731 1/20 0.54
PTGFR P43088 1/20 0.54
PTGER2 P43116 1/20 0.54
GPR84 Q9NQS5 7/20 0.52
PPARG P37231 7/20 0.52
PPARD Q03181 7/20 0.52
PPARA Q07869 7/20 0.52
HDAC11 Q96DB2 5/20 0.52
TSHR P16473 4/20 0.52
PTPN1 P18031 3/20 0.52
ALDH1A1 P00352 3/20 0.52
TLR2 O60603 2/20 0.52
TDP1 Q9NUW8 2/20 0.52
FABP4 P15090 2/20 0.52
KMT2A Q03164 2/20 0.52
SLC22A6 Q4U2R8 1/20 0.52
SLC22A8 Q8TCC7 1/20 0.52
MEN1 O00255 1/20 0.52
ESR1 P03372 1/20 0.52

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
SCHEMBL9623088 1.00 ALOX5 (0.59) ALOX5TBXA2RPTGFRPTGER2GPR84
SCHEMBL11039601 1.00 ALOX5 (0.59) ALOX5TBXA2RPTGFRPTGER2GPR84
Rosaprostol SCHEMBL186775 1.00 ALOX5 (0.59) ALOX5TBXA2RPTGFRPTGER2GPR84
SCHEMBL11186080 1.00 ALOX5 (0.59) ALOX5TBXA2RPTGFRPTGER2GPR84
Rosaprostol SCHEMBL186776 1.00 ALOX5 (0.59) ALOX5TBXA2RPTGFRPTGER2GPR84
Rosaprostol SCHEMBL1231120 0.98 ALOX5 (0.58) ALOX5TBXA2RPTGFRPTGER2GPR84
SCHEMBL11729161 0.92 KMT2A (0.54) ALOX5TBXA2RPTGFRPTGER2GPR84
SCHEMBL11655265 0.92 KMT2A (0.54) ALOX5TBXA2RPTGFRPTGER2GPR84
SCHEMBL9808452 0.91 ALOX5 (0.56) ALOX5TBXA2RPTGFRPTGER2GPR84
SCHEMBL9808378 0.91 ALOX5 (0.56) ALOX5TBXA2RPTGFRPTGER2GPR84

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-4046787-A ANTIULCER AGENTS AMERICAN CYANAMID COMPANY (US) 1977-09-06 US disclosed
US-3932472-A INHIBITORS OF GASTRIC ACID SECRETION AMERICAN CYANAMID COMPANY (US) 1976-01-13 US disclosed