SCHEMBL9067710

SCHEMBL9067710

CCC(C)C(CN(CC(=O)NC(CCSC)C(=O)OC)Cc1ccccc1)NC[C@H](N)CS

nearest known ligand 0.52

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
▸ FNTA P49354 12/20 0.52
▸ FNTB P49356 12/20 0.52
▸ PGGT1B P53609 4/20 0.50
▸ TDP1 Q9NUW8 2/20 0.49
▸ EGFR P00533 1/20 0.44
▸ FYN P06241 1/20 0.44
▸ CHRM2 P08172 1/20 0.44
▸ CYP3A4 P08684 1/20 0.44
▸ ADRA2A P08913 1/20 0.44
▸ CYP2D6 P10635 1/20 0.44
▸ DRD2 P14416 1/20 0.44
▸ ADRA2C P18825 1/20 0.44
▸ TACR2 P21452 1/20 0.44
▸ MC5R P33032 1/20 0.44
▸ DRD3 P35462 1/20 0.44
▸ MC3R P41968 1/20 0.44
▸ ALDH1A1 P00352 1/20 0.44
▸ MAPT P10636 1/20 0.44
▸ SMN1; SMN2 Q16637 1/20 0.44

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
SCHEMBL9067440 1.00 FNTA (0.52) FNTAFNTBPGGT1BTDP1EGFR
SCHEMBL9068027 0.94 FNTA (0.58) FNTAFNTBPGGT1BTDP1
SCHEMBL9067918 0.94 FNTA (0.58) FNTAFNTBPGGT1BTDP1
SCHEMBL9067960 0.92 FNTA (0.48) FNTAFNTBPGGT1BTDP1EGFR
SCHEMBL9068150 0.89 FNTA (0.45) FNTAFNTBPGGT1BTDP1EGFR
SCHEMBL9067722 0.88 FNTA (0.61) FNTAFNTBPGGT1BTDP1
SCHEMBL9068189 0.88 FNTA (0.61) FNTAFNTBPGGT1BTDP1
SCHEMBL9067849 0.86 FNTA (0.55) FNTAFNTBPGGT1BTDP1
SCHEMBL9067429 0.86 FNTA (0.53) FNTAFNTBPGGT1BTDP1EGFR
SCHEMBL9068434 0.86 FNTA (0.53) FNTAFNTBPGGT1BTDP1EGFR

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-5536750-A ANTITUMOR MERCK & CO., INC. (US) 1996-07-16 — — US disclosed
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