SCHEMBL7922155

SCHEMBL7922155

O=C(O)C=Cc1cc(F)ccc1Cc1ccc2c(ccn2Cc2ccccc2)c1

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PTGER3 P43115 3/20 0.50
PTGDR Q13258 3/20 0.50
TBXA2R P21731 2/20 0.50
PTGER4 P35408 2/20 0.50
PTGFR P43088 2/20 0.50
PTGER2 P43116 2/20 0.50
HDAC3 O15379 2/20 0.49
HDAC1 Q13547 2/20 0.49
HDAC2 Q92769 2/20 0.49
HDAC8 Q9BY41 2/20 0.49
HDAC6 Q9UBN7 2/20 0.49
HDAC4 P56524 1/20 0.49
HDAC7 Q8WUI4 1/20 0.49
HDAC10 Q969S8 1/20 0.49
HDAC11 Q96DB2 1/20 0.49
HDAC9 Q9UKV0 1/20 0.49
HDAC5 Q9UQL6 1/20 0.49
PPARG P37231 6/20 0.48
PTGER1 P34995 1/20 0.47
PTGIR P43119 1/20 0.47

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
SCHEMBL7922152 1.00 PTGER3 (0.50) PTGER3PTGDRTBXA2RPTGER4PTGFR
SCHEMBL7922214 0.77 PTGER3 (0.63) PTGER3PTGER4PTGER2HDAC3HDAC1
SCHEMBL7922217 0.77 PTGER3 (0.63) PTGER3PTGER4PTGER2HDAC3HDAC1
SCHEMBL7712681 0.77 HDAC1 (0.78) HDAC3HDAC1HDAC2HDAC8HDAC6
SCHEMBL9033657 0.77 HDAC1 (0.78) HDAC3HDAC1HDAC2HDAC8HDAC6
SCHEMBL9584191 0.76 APP (0.53) HDAC3HDAC1HDAC2HDAC8HDAC6
SCHEMBL9034832 0.76 HDAC8 (0.56) HDAC3HDAC1HDAC2HDAC8HDAC6
SCHEMBL7818354 0.72 PTGER3 (0.50) PTGER3PTGDRTBXA2RPTGER4PTGFR
SCHEMBL7818358 0.72 PTGER3 (0.50) PTGER3PTGDRTBXA2RPTGER4PTGFR
SCHEMBL8388266 0.72 BACE1 (0.74) HDAC3HDAC1HDAC2HDAC8HDAC6

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-6242493-B1 PROSTAGLANDIN INHIBITORS; ANALGESICS, ANTIPYRETICS, ANTIINFLAMMATORY AGENTS MERCK FROSST CANADA & CO. (CA) 2001-06-05 US disclosed