SCHEMBL8987281

SCHEMBL8987281

O=C(O)CCCCCSc1ncc(-c2ccccc2)c(-c2ccccc2)n1

nearest known ligand 0.50

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
PTGIR P43119 4/20 0.50
PTGES O14684 1/20 0.47
LTB4R Q15722 5/20 0.44
HDAC3 O15379 1/20 0.42
PTK2 Q05397 1/20 0.42
HDAC1 Q13547 1/20 0.42
HDAC2 Q92769 1/20 0.42
HDAC8 Q9BY41 1/20 0.42
HDAC6 Q9UBN7 1/20 0.42
ALDH1A1 P00352 1/20 0.42
RXRA P19793 1/20 0.41
RXRB P28702 1/20 0.41
NR4A2 P43354 1/20 0.41
NTRK1 P04629 1/20 0.41
PTGS2 P35354 1/20 0.41
FABP3 P05413 1/20 0.41
FABP4 P15090 1/20 0.41
ADORA2A P29274 1/20 0.40
ADORA1 P30542 1/20 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
SCHEMBL8987417 1.00 PTGIR (0.50) PTGIRPTGESLTB4RHDAC3PTK2
SCHEMBL8987348 0.89 PTGES (0.45) PTGIRPTGESHDAC3HDAC1HDAC2
SCHEMBL8987239 0.85 FAAH (0.48) PTGESALDH1A1PTGS2
SCHEMBL8987043 0.85 FAAH (0.48) PTGESALDH1A1PTGS2
SCHEMBL8987067 0.85 FAAH (0.48) PTGESALDH1A1PTGS2
SCHEMBL3282641 0.82 PTGES (0.41) PTGESHDAC3HDAC1HDAC2HDAC8
Bicarbonate SCHEMBL3919502 0.82 PTGES (0.41) PTGESALDH1A1NTRK1ADORA2AADORA1
SCHEMBL8987398 0.82 LTB4R (0.47) PTGESLTB4RNTRK1
SCHEMBL3282637 0.82 PTGES (0.41) PTGESHDAC3HDAC1HDAC2HDAC8
SCHEMBL3282561 0.80 L3MBTL1 (0.42) PTGESALDH1A1NTRK1ADORA2AADORA1

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-5492915-A ANTIINFLAMMATORY AGENTS RHONE-POULENC RORER S.A. (FR) 1996-02-20 US disclosed
US-5366982-A Antiinflammatory agents or antihistamines RHONE-POULENC RORER S.A. (FR) 1994-11-22 US disclosed