SCHEMBL11416848

SCHEMBL11416848

O=C(O)c1ccc(C(=O)O)c(/C=N/c2ccccc2Cl)c1

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ DHODH Q02127 1/20 0.44
▸ PTPN11 Q06124 1/20 0.43
▸ KDM4E B2RXH2 3/20 0.42
▸ ALDH1A1 P00352 4/20 0.41
▸ TSHR P16473 3/20 0.40
▸ ESR1 P03372 1/20 0.40
▸ ESR2 Q92731 1/20 0.40
▸ PTGS2 P35354 1/20 0.40
▸ MEN1 O00255 2/20 0.39
▸ KMT2A Q03164 2/20 0.39
▸ HPGD P15428 2/20 0.39
▸ HSD17B10 Q99714 1/20 0.39
▸ RXFP1 Q9HBX9 1/20 0.39
▸ MAPT P10636 2/20 0.38
▸ PLA2G1B P04054 1/20 0.38
▸ ATG4B Q9Y4P1 1/20 0.38
▸ LMNA P02545 1/20 0.38
▸ TDP1 Q9NUW8 1/20 0.38
▸ L3MBTL1 Q9Y468 1/20 0.38
▸ CA1 P00915 1/20 0.38

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
SCHEMBL11416851 1.00 DHODH (0.44) DHODHPTPN11KDM4EALDH1A1TSHR
SCHEMBL11402270 0.84 ALDH1A1 (0.52) DHODHKDM4EALDH1A1TSHRPTGS2
SCHEMBL11418971 0.81 CA2 (0.54) KDM4ETSHRMEN1KMT2AHSD17B10
SCHEMBL11418973 0.81 CA2 (0.54) KDM4ETSHRMEN1KMT2AHSD17B10
SCHEMBL11409847 0.78 DHODH (0.64) DHODHKDM4EALDH1A1MEN1KMT2A
SCHEMBL11221559 0.77 PTGS2 (0.50) KDM4EALDH1A1TSHRPTGS2MEN1
SCHEMBL11221569 0.77 PTGS2 (0.50) KDM4EALDH1A1TSHRPTGS2MEN1
SCHEMBL11423177 0.77 ALDH1A1 (0.45) DHODHKDM4EALDH1A1PTGS2MEN1
SCHEMBL11423175 0.77 ALDH1A1 (0.45) DHODHKDM4EALDH1A1PTGS2MEN1
SCHEMBL11409867 0.77 DHODH (0.48) DHODHPTPN11KDM4EALDH1A1TSHR

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-4200648-A INFLAMMATION BY ADMINISTERING A BENZYLIDENEANILINE DERIVATIVE WILLIAM H. RORER, INC. (US) 1980-04-29 — — US disclosed
US-4198349-A ANTIINFLAMMATORY, TOPICAL WILLIAM H. RORER, INC. (US) 1980-04-15 — — US disclosed
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