SCHEMBL8865973

SCHEMBL8865973

CCC(C)C(N)CN(CC(=O)NC(CCSC)C(=O)OC)Cc1ccccc1

nearest known ligand 0.52

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
▸ FNTA P49354 8/20 0.52
▸ FNTB P49356 8/20 0.52
▸ L3MBTL1 Q9Y468 1/20 0.44
▸ TSHR P16473 2/20 0.42
▸ TAS1R3 Q7RTX0 1/20 0.42
▸ TAS1R1 Q7RTX1 1/20 0.42
▸ CTSD P07339 3/20 0.41
▸ TDP1 Q9NUW8 1/20 0.41
▸ CYP3A4 P08684 1/20 0.41
▸ CYP2C19 P33261 1/20 0.41
▸ POLB P06746 1/20 0.41
▸ CA12 O43570 1/20 0.40
▸ CA1 P00915 1/20 0.40
▸ CA2 P00918 1/20 0.40
▸ CA9 Q16790 1/20 0.40

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
SCHEMBL8865978 1.00 FNTA (0.52) FNTAFNTBL3MBTL1TSHRTAS1R3
SCHEMBL7748917 0.86 FNTA (0.61) FNTAFNTBTSHRTAS1R3TAS1R1
SCHEMBL7748919 0.86 FNTA (0.61) FNTAFNTBTSHRTAS1R3TAS1R1
SCHEMBL9067440 0.86 FNTA (0.52) FNTAFNTBTDP1CYP3A4
SCHEMBL9067710 0.86 FNTA (0.52) FNTAFNTBTDP1CYP3A4
Hydrochloric Acid SCHEMBL8335619 0.85 FNTA (0.61) FNTAFNTBTSHRTAS1R3TAS1R1
Hydrochloric Acid SCHEMBL8335614 0.85 FNTA (0.61) FNTAFNTBTSHRTAS1R3TAS1R1
Hydrochloric Acid SCHEMBL8333033 0.85 FNTA (0.61) FNTAFNTBTSHRTAS1R3TAS1R1
Hydrochloric Acid SCHEMBL8331560 0.85 FNTA (0.61) FNTAFNTBTSHRTAS1R3TAS1R1
Hydrochloric Acid SCHEMBL8331559 0.85 FNTA (0.61) FNTAFNTBTSHRTAS1R3TAS1R1

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-5652257-A ANTICARCINOGENIC MERCK & CO., INC. (US) 1997-07-29 — — US disclosed
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