SCHEMBL10529916

SCHEMBL10529916

Cc1ccc(Cl)c(NC(OC(=O)c2ccccc2)C(=O)O)c1Cl

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ PTGS2 P35354 7/20 0.47
▸ MEN1 O00255 4/20 0.46
▸ KMT2A Q03164 4/20 0.46
▸ MAPK1 P28482 3/20 0.46
▸ METTL3 Q86U44 2/20 0.46
▸ AKR1B10 O60218 1/20 0.46
▸ ABCB11 O95342 1/20 0.46
▸ TTR P02766 1/20 0.46
▸ ADORA3 P0DMS8 1/20 0.46
▸ CHRM1 P11229 1/20 0.46
▸ FABP2 P12104 1/20 0.46
▸ RXRA P19793 1/20 0.46
▸ TBXA2R P21731 1/20 0.46
▸ NR4A1 P22736 1/20 0.46
▸ PTGS1 P23219 1/20 0.46
▸ PDE4A P27815 1/20 0.46
▸ AKR1C3 P42330 1/20 0.46
▸ NR4A2 P43354 1/20 0.46
▸ AKR1C2 P52895 1/20 0.46
▸ AKR1C1 Q04828 1/20 0.46

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
SCHEMBL10533120 0.79 PTGS2 (0.52) PTGS2MEN1KMT2AMAPK1METTL3
SCHEMBL7576854 0.74 PTGS2 (0.51) PTGS2MEN1KMT2AMAPK1METTL3
Acetic Acid SCHEMBL28881805 0.74 METTL3 (0.45) PTGS2MEN1KMT2AMAPK1METTL3
SCHEMBL8370092 0.69 CXCL8 (0.42) PTGS2MEN1KMT2AAKR1B10ABCB11
SCHEMBL8611754 0.69 ALDH1A1 (0.62) PTGS2MEN1KMT2AMAPK1METTL3
SCHEMBL9735497 0.68 PTGS2 (0.48) PTGS2MEN1KMT2AMAPK1METTL3
SCHEMBL28543940 0.65 MEN1 (0.50) MEN1KMT2AMAPK1TSHRTP53
SCHEMBL7581152 0.65 ALDH1A1 (0.46) PTGS2MEN1KMT2AMAPK1METTL3
SCHEMBL24021602 0.64 MEN1 (0.56) PTGS2MEN1KMT2AMAPK1METTL3
SCHEMBL2906104 0.64 TSHR (0.49) PTGS2KMT2AMAPK1AKR1B10ABCB11

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-4879311-A ANALGESIC, ANTIINFLAMMATORY INVERNI DELLA BEFFA S.P.A. (IT) 1989-11-07 — — US disclosed
EP-0301834-A2 Derivatives of benzoyloxyacetic acid, and preparation and formulations thereof for therapeutic use IDB HOLDING S.p.A. (IT) 1989-02-01 — — EP disclosed
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