SCHEMBL9767987

SCHEMBL9767987

CCCCCCCCCCCCCCc1ccc(O)c(C(C)=O)c1

nearest known ligand 0.77

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KAT8 Q9H7Z6 2/20 0.77
PPARA Q07869 2/20 0.63
ESR1 P03372 2/20 0.51
ADRA2A P08913 2/20 0.51
ADORA3 P0DMS8 2/20 0.51
TACR2 P21452 2/20 0.51
SLC6A2 P23975 2/20 0.51
SLC6A4 P31645 2/20 0.51
SLC6A3 Q01959 2/20 0.51
HSD17B10 Q99714 2/20 0.51
KDM4E B2RXH2 1/20 0.51
ALDH1A1 P00352 1/20 0.51
LMNA P02545 1/20 0.51
SHBG P04278 1/20 0.51
TP53 P04637 1/20 0.51
CYP3A4 P08684 1/20 0.51
HSPD1 P10809 1/20 0.51
ADRB3 P13945 1/20 0.51
HTR2C P28335 1/20 0.51
HSPE1 P61604 1/20 0.51

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
SCHEMBL8531761 1.00 KAT8 (0.77) KAT8PPARAESR1ADRA2AADORA3
SCHEMBL8527291 1.00 KAT8 (0.77) KAT8PPARAESR1ADRA2AADORA3
SCHEMBL6582694 1.00 KAT8 (0.77) KAT8PPARAESR1ADRA2AADORA3
SCHEMBL15765290 1.00 KAT8 (0.77) KAT8PPARAESR1ADRA2AADORA3
SCHEMBL207879 1.00 KAT8 (0.77) KAT8PPARAESR1ADRA2AADORA3
SCHEMBL6582850 1.00 KAT8 (0.77) KAT8PPARAESR1ADRA2AADORA3
SCHEMBL11517335 0.98 KAT8 (0.74) KAT8PPARAESR1ADRA2AADORA3
SCHEMBL1415882 0.93 KAT8 (0.67) KAT8PPARAHSD17B10ALDH1A1LCK
SCHEMBL28445615 0.89 KAT8 (0.79) KAT8PPARAESR1ADRA2AADORA3
SCHEMBL2529442 0.87 KAT8 (1.00) KAT8PPARAEGFRLCKPPARG

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-4981989-A Antihypertensive phosphate derivatives and intermediates thereof AMERICAN CYANAMID COMPANY (US) 1991-01-01 US disclosed
US-4894367-A CARDIOVASCULAR DISORDERS AMERICAN CYANAMID COMPANY (US) 1990-01-16 US disclosed
US-4883816-A SULFONYL DERIVATIVES AMERICAN CYANAMID COMPANY (US) 1989-11-28 US disclosed
US-4762942-A AMINO SUBSTITUTED, INNER SALTS AMERICAN CYANAMID CO. (US) 1988-08-09 US disclosed