SCHEMBL11408874

SCHEMBL11408874

Cc1cc(Cl)ccc1/N=C/c1ccc(C(=O)O)cc1C(=O)O

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ MEN1 O00255 1/20 0.45
▸ KMT2A Q03164 1/20 0.45
▸ ALDH1A1 P00352 4/20 0.44
▸ TSHR P16473 3/20 0.44
▸ HPGD P15428 2/20 0.44
▸ KDM4E B2RXH2 2/20 0.44
▸ HSD17B10 Q99714 1/20 0.44
▸ PLA2G1B P04054 1/20 0.44
▸ MAPT P10636 1/20 0.44
▸ ATG4B Q9Y4P1 1/20 0.44
▸ AKR1C3 P42330 2/20 0.38
▸ AKR1C2 P52895 2/20 0.38
▸ MRGPRX4 Q96LA9 2/20 0.38
▸ CDH1 P12830 1/20 0.37
▸ APC P25054 1/20 0.37
▸ CTNNB1 P35222 1/20 0.37
▸ TCF7L2 Q9NQB0 1/20 0.37
▸ SRD5A2 P31213 2/20 0.37
▸ SRD5A1 P18405 1/20 0.37
▸ ALOX15 P16050 1/20 0.37

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
SCHEMBL11408875 1.00 MEN1 (0.45) MEN1KMT2AALDH1A1TSHRHPGD
SCHEMBL11431148 0.88 MEN1 (0.46) MEN1KMT2AALDH1A1TSHRHPGD
SCHEMBL11431151 0.88 MEN1 (0.46) MEN1KMT2AALDH1A1TSHRHPGD
SCHEMBL11409738 0.87 LMNA (0.48) MEN1KMT2AALDH1A1TSHRHPGD
SCHEMBL11409741 0.87 LMNA (0.48) MEN1KMT2AALDH1A1TSHRHPGD
SCHEMBL11422940 0.84 ALDH1A1 (0.41) MEN1KMT2AALDH1A1TSHRHPGD
SCHEMBL11422945 0.84 ALDH1A1 (0.41) MEN1KMT2AALDH1A1TSHRHPGD
SCHEMBL11410085 0.81 DHODH (0.48) MEN1KMT2AALDH1A1TSHRHPGD
SCHEMBL11410079 0.81 DHODH (0.48) MEN1KMT2AALDH1A1TSHRHPGD
SCHEMBL11418727 0.79 ALDH1A1 (0.47) MEN1KMT2AALDH1A1TSHRHPGD

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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