SCHEMBL7748917

SCHEMBL7748917

CCC(C)C(N)CN(CC(=O)NC(CCSC)C(=O)OC)Cc1cccc2ccccc12

nearest known ligand 0.61

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
▸ FNTA P49354 8/20 0.61
▸ FNTB P49356 8/20 0.61
▸ CYP2C9 P11712 1/20 0.41
▸ CYP3A4 P08684 1/20 0.41
▸ CYP2C19 P33261 1/20 0.41
▸ TSHR P16473 1/20 0.41
▸ GAA P10253 1/20 0.40
▸ METAP2 P50579 2/20 0.40
▸ METAP1 P53582 2/20 0.40
▸ TAS1R3 Q7RTX0 1/20 0.39
▸ TAS1R1 Q7RTX1 1/20 0.39
▸ CA12 O43570 1/20 0.39
▸ CA1 P00915 1/20 0.39
▸ CA2 P00918 1/20 0.39
▸ CA9 Q16790 1/20 0.39
▸ APOBEC3G Q9HC16 1/20 0.39

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
SCHEMBL7748919 1.00 FNTA (0.61) FNTAFNTBCYP2C9CYP3A4CYP2C19
Hydrochloric Acid SCHEMBL8335619 0.99 FNTA (0.61) FNTAFNTBCYP2C9CYP3A4CYP2C19
Hydrochloric Acid SCHEMBL8333033 0.99 FNTA (0.61) FNTAFNTBCYP2C9CYP3A4CYP2C19
Hydrochloric Acid SCHEMBL8331559 0.99 FNTA (0.61) FNTAFNTBCYP2C9CYP3A4CYP2C19
Hydrochloric Acid SCHEMBL8335614 0.99 FNTA (0.61) FNTAFNTBCYP2C9CYP3A4CYP2C19
Hydrochloric Acid SCHEMBL8331560 0.99 FNTA (0.61) FNTAFNTBCYP2C9CYP3A4CYP2C19
Hydrochloric Acid SCHEMBL8369181 0.89 FNTA (0.66) FNTAFNTBCYP2C9CYP3A4CYP2C19
Hydrochloric Acid SCHEMBL8365955 0.89 FNTA (0.66) FNTAFNTBCYP2C9CYP3A4CYP2C19
SCHEMBL9074248 0.88 FNTA (0.68) FNTAFNTBCYP2C9CYP3A4CYP2C19
SCHEMBL9074244 0.88 FNTA (0.68) FNTAFNTBCYP2C9CYP3A4CYP2C19

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0906099-A4 A METHOD OF TREATING CANCER MERCK & CO INC (US) 2001-02-07 — — EP disclosed
EP-0952842-A2 A METHOD OF TREATING CANCER Merck & Co., Inc. (US) 1999-11-03 — — EP disclosed
EP-0934270-A1 A METHOD OF TREATING CANCER Merck & Co., Inc. (US) 1999-08-11 — — EP disclosed
EP-0906099-A1 A METHOD OF TREATING CANCER Merck & Co., Inc. (US) 1999-04-07 — — EP disclosed
EP-0836383-A1 COMBINATIONS OF INHIBITORS OF FARNESYL-PROTEIN TRANSFERASE Merck & Co., Inc. (US) 1998-04-22 — — EP disclosed
WO-1997045412-A1 A METHOD OF TREATING CANCER MERCK & CO., INC. (US) 1997-12-04 — — WO disclosed
WO-1997038664-A2 A METHOD OF TREATING CANCER MERCK & CO., INC. (US) 1997-10-23 — — WO disclosed
WO-1997036587-A1 A METHOD OF TREATING CANCER MERCK & CO., INC. (US) 1997-10-09 — — WO disclosed
US-5652257-A ANTICARCINOGENIC MERCK & CO., INC. (US) 1997-07-29 — — US disclosed
EP-0783517-A2 THIOL-FREE INHIBITORS OF FARNESYL-PROTEIN TRANSFERASE MERCK & CO. INC. (US) 1997-07-16 — — EP disclosed
WO-1997001275-A1 COMBINATIONS OF INHIBITORS OF FARNESYL-PROTEIN TRANSFERASE MERCK & CO., INC. (US) 1997-01-16 — — WO disclosed
WO-1996010034-A2 THIOL-FREE INHIBITORS OF FARNESYL-PROTEIN TRANSFERASE MERCK & CO., INC. (US) 1996-04-04 — — WO disclosed
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