SCHEMBL22880299

SCHEMBL22880299

Cc1c(NC(=O)/C=C/C(=O)O)ccc(C(C)(c2ccc(-c3ccccc3)cc2)c2ccc(NC(=O)/C=C/C(=O)O)cc2O)c1O

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ ALDH1A1 P00352 8/20 0.48
▸ MAPT P10636 7/20 0.48
▸ KDM4E B2RXH2 3/20 0.48
▸ LPAR2 Q9HBW0 2/20 0.43
▸ LPAR3 Q9UBY5 2/20 0.43
▸ KMT2A Q03164 4/20 0.42
▸ MEN1 O00255 3/20 0.42
▸ GAA P10253 3/20 0.40
▸ SMN1; SMN2 Q16637 1/20 0.40
▸ LPAR1 Q92633 1/20 0.39
▸ CYP2C9 P11712 2/20 0.39
▸ HPGD P15428 1/20 0.39
▸ PKM P14618 2/20 0.39
▸ THRB P10828 2/20 0.39
▸ NMT1 P30419 1/20 0.39
▸ MAPK1 P28482 1/20 0.39
▸ NPSR1 Q6W5P4 1/20 0.39
▸ CREBBP Q92793 1/20 0.38
▸ POLB P06746 1/20 0.37
▸ CYP2C19 P33261 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
SCHEMBL22862111 0.90 ALDH1A1 (0.59) ALDH1A1MAPTKDM4ELPAR2LPAR3
SCHEMBL22862114 0.77 ALDH1A1 (0.77) ALDH1A1MAPTKDM4ELPAR2LPAR3
SCHEMBL22862192 0.74 ALDH1A1 (0.60) ALDH1A1MAPTKDM4ELPAR2LPAR3
SCHEMBL22862190 0.73 MAPT (0.60) ALDH1A1MAPTKDM4ELPAR2LPAR3
SCHEMBL22862106 0.73 ALDH1A1 (0.59) ALDH1A1MAPTKDM4ELPAR2LPAR3
SCHEMBL22862126 0.70 ALDH1A1 (0.64) ALDH1A1MAPTKDM4ELPAR2LPAR3
SCHEMBL22862103 0.70 SMN1; SMN2 (0.60) ALDH1A1MAPTKDM4EKMT2AMEN1
SCHEMBL3917105 0.69 ALDH1A1 (1.00) ALDH1A1MAPTKDM4ELPAR2LPAR3
SCHEMBL13381286 0.69 ALDH1A1 (1.00) ALDH1A1MAPTKDM4ELPAR2LPAR3
SCHEMBL3917103 0.69 ALDH1A1 (1.00) ALDH1A1MAPTKDM4ELPAR2LPAR3

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3760611-A1 COMPOUND, RESIN, COMPOSITION AND FILM-FORMING MATERIAL FOR LITHOGRAPHY USING SAME MITSUBISHI GAS CHEMICAL COMPANY, INC. (JP) 2021-01-06 — — EP disclosed
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