SCHEMBL11340472

SCHEMBL11340472

CCC/C(=C\c1cccc(Cl)c1)C(=O)O

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ AKR1C3 P42330 2/20 0.48
▸ PTGS2 P35354 1/20 0.46
▸ CYP2C9 P11712 2/20 0.45
▸ CYP1A2 P05177 1/20 0.45
▸ ALDH1A1 P00352 4/20 0.45
▸ KMT2A Q03164 3/20 0.45
▸ KDM4E B2RXH2 2/20 0.45
▸ POLB P06746 1/20 0.45
▸ PKM P14618 1/20 0.45
▸ FBP1 P09467 1/20 0.44
▸ L3MBTL1 Q9Y468 1/20 0.43
▸ MAOB P27338 1/20 0.43
▸ MAPT P10636 2/20 0.43
▸ MEN1 O00255 2/20 0.42
▸ LMNA P02545 1/20 0.42
▸ GAA P10253 1/20 0.42
▸ SMN1; SMN2 Q16637 1/20 0.42
▸ PTGES O14684 1/20 0.41
▸ ALOX5 P09917 1/20 0.41
▸ PPARG P37231 1/20 0.41

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
SCHEMBL11340474 1.00 AKR1C3 (0.48) AKR1C3PTGS2CYP2C9CYP1A2ALDH1A1
SCHEMBL3183832 0.88 KMT2A (0.50) AKR1C3PTGS2CYP2C9CYP1A2ALDH1A1
SCHEMBL11333114 0.88 KMT2A (0.50) AKR1C3PTGS2CYP2C9CYP1A2ALDH1A1
SCHEMBL8858244 0.82 CYP3A4 (0.59) AKR1C3CYP2C9ALDH1A1KMT2AMEN1
SCHEMBL3256825 0.82 CYP3A4 (0.59) AKR1C3CYP2C9ALDH1A1KMT2AMEN1
SCHEMBL11324744 0.82 AKR1C3 (0.48) AKR1C3PTGS2CYP2C9CYP1A2ALDH1A1
SCHEMBL11324746 0.82 AKR1C3 (0.48) AKR1C3PTGS2CYP2C9CYP1A2ALDH1A1
SCHEMBL11337078 0.82 DPEP1 (0.46) CYP2C9LMNAPTGESALOX5PPARG
SCHEMBL11337074 0.82 DPEP1 (0.46) CYP2C9LMNAPTGESALOX5PPARG
SCHEMBL11329442 0.81 GRIK1 (0.56) AKR1C3CYP2C9CYP1A2ALDH1A1KDM4E

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
US-4273873-A BONDING SYNTHETIC FIBRINOLYTIC COMPOUND OR ENZYME UNITIKA LTD. (JP) 1981-06-16 — — US disclosed
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