SCHEMBL9843045

SCHEMBL9843045

O=C(O)CCCCCCCn1cc(-c2ccccc2)c(-c2ccccc2)nc1=O

nearest known ligand 0.64

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
PTGIR P43119 4/20 0.64
CCNT1 O60563 2/20 0.44
CDK9 P50750 2/20 0.44
CCNA2 P20248 1/20 0.44
CDK2 P24941 1/20 0.44
RXRA P19793 2/20 0.42
RXRB P28702 2/20 0.42
NR4A2 P43354 2/20 0.42
KDM4E B2RXH2 1/20 0.42
TSHR P16473 1/20 0.42
HSD17B10 Q99714 1/20 0.42
LTB4R Q15722 3/20 0.42
RXRG P48443 1/20 0.40
EP300 Q09472 2/20 0.40
FAAH O00519 2/20 0.40

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
SCHEMBL9842917 1.00 PTGIR (0.64) PTGIRCCNT1CDK9CCNA2CDK2
SCHEMBL9842920 0.87 FAAH (0.54) PTGIRTSHRLTB4RFAAH
SCHEMBL9842871 0.87 FAAH (0.54) PTGIRTSHRLTB4RFAAH
SCHEMBL9208677 0.79 PTGIR (1.00) PTGIRKDM4ETSHRHSD17B10
SCHEMBL8104423 0.79 PTGIR (1.00) PTGIRKDM4ETSHRHSD17B10
Water SCHEMBL9205505 0.77 PTGIR (0.97) PTGIRKDM4ETSHRHSD17B10
SCHEMBL9770992 0.76 PTGIR (0.64) PTGIRKDM4ETSHRHSD17B10
SCHEMBL9770984 0.76 PTGIR (0.64) PTGIRKDM4ETSHRHSD17B10
SCHEMBL9440886 0.73 PTGIR (0.62) PTGIRLTB4R
SCHEMBL8104458 0.73 PTGIR (0.67) PTGIRRXRARXRBNR4A2KDM4E

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0442448-A2 Heterocyclic carboxylic acids and esters Bristol-Myers Squibb Company (US) 1991-08-21 EP claimed
US-4983610-A BLOOD PLATELET AGGREGATION INHIBITORS BRISTOL-MYERS SQUIBB COMPANY (US) 1991-01-08 US claimed
US-4983610-A BLOOD PLATELET AGGREGATION INHIBITORS BRISTOL-MYERS SQUIBB COMPANY (US) 1991-01-08 US disclosed