SCHEMBL11633504

SCHEMBL11633504

O=C(O)CCc1ccccc1Cc1ccc(Cl)cc1

nearest known ligand 0.51

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
FFAR1 O14842 7/20 0.51
FFAR4 Q5NUL3 4/20 0.51
KEAP1 Q14145 1/20 0.48
TBXA2R P21731 1/20 0.46
PLA2G4A P47712 2/20 0.45
HTR2A P28223 1/20 0.44
PDPK1 O15530 1/20 0.44
MEN1 O00255 1/20 0.44
KMT2A Q03164 1/20 0.44

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
SCHEMBL27458277 0.88 KEAP1 (0.63) FFAR1FFAR4KEAP1PLA2G4AHTR2A
SCHEMBL9173189 0.83 FFAR1 (0.53) FFAR1FFAR4KEAP1PLA2G4AHTR2A
SCHEMBL59198 0.80 KEAP1 (0.65) FFAR1FFAR4KEAP1
SCHEMBL9179978 0.78 CA1 (0.46) FFAR1KEAP1
SCHEMBL349314 0.78 FFAR1 (0.71) FFAR1FFAR4KEAP1PDPK1MEN1
SCHEMBL11631691 0.78 NR4A1 (0.58) FFAR1FFAR4
SCHEMBL11239664 0.77 FFAR1 (0.61) FFAR1FFAR4
SCHEMBL9785808 0.77 FFAR1 (0.55) FFAR1KEAP1PLA2G4A
SCHEMBL11635445 0.77 KMT2A (0.49) MEN1KMT2A
Hydrochloric Acid SCHEMBL11045221 0.76 FFAR1 (0.69) FFAR1FFAR4KEAP1PDPK1MEN1

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
US-4111997-A ANTIPYRETIC, ANALGESIC, ANTIINFLAMMATORY TAKEDA CHEMICAL COMPANY, LTD. (JP) 1978-09-05 US disclosed
US-4007225-A ANTIPYRETIC, ANALGESIC, ANTIINFLAMMATORY TAKEDA CHEMICAL INDUSTRIES, LTD. (JA) 1977-02-08 US disclosed
US-3953500-A ANTIPYRETICS, ANALGESICS, ANTIINFLAMMATORY AGENTS TAKEDA CHEMICAL INDUSTRIES, LTD. (JA) 1976-04-27 US disclosed