SCHEMBL10877453

SCHEMBL10877453

CC(C(=O)O)c1cc(Cl)c2c(c1)CCC(C)(C)N2

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ PTGS1 P23219 6/20 0.39
▸ CHRM1 P11229 1/20 0.39
▸ AKR1B1 P15121 1/20 0.36
▸ AKR1C3 P42330 7/20 0.34
▸ AKR1C2 P52895 6/20 0.34
▸ APP P05067 2/20 0.33
▸ PSEN1 P49768 1/20 0.33
▸ PSEN2 P49810 1/20 0.33
▸ APH1B Q8WW43 1/20 0.33
▸ NCSTN Q92542 1/20 0.33
▸ APH1A Q96BI3 1/20 0.33
▸ PSENEN Q9NZ42 1/20 0.33
▸ AKT1 P31749 1/20 0.33
▸ PTGS2 P35354 6/20 0.33
▸ MEN1 O00255 1/20 0.33
▸ ABCC4 O15439 1/20 0.33
▸ C5 P01031 1/20 0.33
▸ MAPT P10636 1/20 0.33
▸ KMT2A Q03164 1/20 0.33
▸ PDE4D Q08499 1/20 0.33

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
SCHEMBL10877085 0.85 AKR1C3 (0.38) PTGS1AKR1B1AKR1C3AKR1C2APP
SCHEMBL11015357 0.81 AKR1B1 (0.33) AKR1B1AKR1C3AKR1C2AKT1PPARG
SCHEMBL11012237 0.77 PTGS2 (0.41) PTGS1CHRM1AKR1B1AKR1C3AKR1C2
SCHEMBL11013390 0.77 HDAC4 (0.45) PTGS1CHRM1AKR1B1AKR1C3AKR1C2
SCHEMBL11200807 0.75 PTGS1 (0.39) PTGS1CHRM1AKR1B1AKR1C3AKR1C2
SCHEMBL10840092 0.73 PDE7A (0.40) AKT1
SCHEMBL11011233 0.68 MEN1 (0.56) PTGS1CHRM1AKR1B1AKR1C3AKR1C2
SCHEMBL10963510 0.66 NOTUM (0.41) PTGS1CHRM1AKR1B1AKR1C3AKR1C2
SCHEMBL10841141 0.65 AHR (0.43) MAPTHTR2A
SCHEMBL9405212 0.64 AKT1 (0.41) PTGS1AKR1B1AKR1C3AKR1C2APP

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0083222-B1 NEW QUINOLYLACETIC ACID COMPOUNDS AND PHARMACEUTICAL COMPOSITIONS CONTAINING THEM NIPPON ZOKI PHARMACEUTICAL CO. LTD. (JP) 1986-02-26 — — EP claimed
US-4555513-A 1,2 Dihydro- and 1,2,3,4-tetrahydro quinolylacetic acids and analgesic use thereof NIPPON ZOKI PHARMACEUTICAL CO. (JP) 1985-11-26 — — US claimed
EP-0083222-A1 New quinolylacetic acid compounds and pharmaceutical compositions containing them NIPPON ZOKI PHARMACEUTICAL CO. LTD. (JP) 1983-07-06 — — EP claimed
EP-0083222-B1 NEW QUINOLYLACETIC ACID COMPOUNDS AND PHARMACEUTICAL COMPOSITIONS CONTAINING THEM NIPPON ZOKI PHARMACEUTICAL CO. LTD. (JP) 1986-02-26 — — EP disclosed
US-4555513-A 1,2 Dihydro- and 1,2,3,4-tetrahydro quinolylacetic acids and analgesic use thereof NIPPON ZOKI PHARMACEUTICAL CO. (JP) 1985-11-26 — — US disclosed
EP-0083222-A1 New quinolylacetic acid compounds and pharmaceutical compositions containing them NIPPON ZOKI PHARMACEUTICAL CO. LTD. (JP) 1983-07-06 — — EP disclosed
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