SCHEMBL11533548

SCHEMBL11533548

CC(C(=O)NCCc1ccccc1)c1cccc(Oc2ccccc2)c1

nearest known ligand 0.81

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GLI1 P08151 2/20 0.81
GLI2 P10070 2/20 0.81
PTGS2 P35354 1/20 0.62
TRPV1 Q8NER1 1/20 0.62
PTGS1 P23219 1/20 0.60
MEN1 O00255 1/20 0.55
CYP2D6 P10635 1/20 0.55
KMT2A Q03164 1/20 0.55
CA12 O43570 1/20 0.54
CA1 P00915 1/20 0.54
CA2 P00918 1/20 0.54
CA4 P22748 1/20 0.54
CA9 Q16790 1/20 0.54
POLB P06746 1/20 0.53
FDFT1 P37268 1/20 0.50
PLAAT3 P53816 1/20 0.50
PLAAT5 Q96KN8 1/20 0.50
PLAAT2 Q9NWW9 1/20 0.50
PLAAT4 Q9UL19 1/20 0.50
FFAR1 O14842 1/20 0.50

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
SCHEMBL13679147 0.86 GLI1 (0.68) GLI1GLI2PTGS2TRPV1PTGS1
SCHEMBL13182988 0.84 POLB (0.68) GLI1GLI2MEN1CYP2D6KMT2A
SCHEMBL17040294 0.83 GLI1 (0.64) GLI1GLI2CYP2D6KMT2AFDFT1
SCHEMBL1891876 0.83 PTGS1 (0.65) GLI1GLI2PTGS2TRPV1PTGS1
SCHEMBL27598564 0.83 PTGS1 (0.65) GLI1GLI2PTGS2TRPV1PTGS1
SCHEMBL12608944 0.83 GLI1 (0.64) GLI1GLI2PTGS2TRPV1PTGS1
SCHEMBL17037435 0.81 GLI1 (0.61) GLI1GLI2FDFT1PLAAT3PLAAT5
SCHEMBL11533724 0.80 PTGS1 (0.60) GLI1GLI2PTGS2TRPV1PTGS1
SCHEMBL11531868 0.80 PTGS1 (0.72) GLI1GLI2PTGS2TRPV1PTGS1
SCHEMBL9878055 0.80 PTGS1 (0.72) GLI1GLI2PTGS2TRPV1PTGS1

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-4145557-A ANTIINFLAMMATORY AGENTS, ANALGESICS, ANTIPYRETICS ELI LILLY AND COMPANY (US) 1979-03-20 US disclosed
US-4062895-A ANTIINFLAMMATORY, ANALGESIC, ANTIPYRETIC ELI LILLY AND COMPANY (US) 1977-12-13 US disclosed
US-4001322-A ANTIINFLAMMATORY, ANALGESIC, ANTIPYRETIC ELI LILLY AND COMPANY (US) 1977-01-04 US disclosed
US-3972934-A ANTIINFLAMMATORY, ANALGESIC, ANTIPYRETIC ELI LILLY AND COMPANY (US) 1976-08-03 US disclosed