SCHEMBL7429151

SCHEMBL7429151

CCCOC(=S)C1C(c2ccccc2F)CCCN1C(=O)C(=O)C(C)(C)CC

nearest known ligand 0.47

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
FKBP1A P62942 16/20 0.47
MTOR P42345 1/20 0.42
FKBP4 Q02790 1/20 0.42
FKBP5 Q13451 1/20 0.42

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
SCHEMBL6570600 0.89 FKBP1A (0.47) FKBP1AMTORFKBP4FKBP5
SCHEMBL6049183 0.85 RIPK1 (0.44) FKBP1AMTORFKBP4FKBP5
SCHEMBL6570571 0.79 RIPK1 (0.39) FKBP1AMTORFKBP4FKBP5
SCHEMBL4679852 0.73 FKBP1A (0.63) FKBP1AMTORFKBP4FKBP5
SCHEMBL5279586 0.72 FKBP1A (0.72) FKBP1A
SCHEMBL7771830 0.72 FKBP1A (0.49) FKBP1AMTORFKBP4FKBP5
SCHEMBL7433188 0.72 FKBP1A (0.59) FKBP1AMTORFKBP4FKBP5
SCHEMBL7424334 0.71 FKBP1A (0.64) FKBP1AMTORFKBP4FKBP5
SCHEMBL5700674 0.70 FKBP1A (0.47) FKBP1A
SCHEMBL4675993 0.69 FKBP1A (0.72) FKBP1A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
JP-2002516844-A 2002-06-11 JP claimed
EP-1083873-A1 HETEROCYCLIC THIOESTER AND KETONE HAIR GROWTH COMPOSITIONS AND USES GPI NIL Holdings, Inc. (US) 2001-03-21 EP claimed
WO-1999062488-A1 HETEROCYCLIC THIOESTER AND KETONE HAIR GROWTH COMPOSITIONS AND USES GPI NIL HOLDINGS, INC. (US) 1999-12-09 WO claimed
EP-1127049-A1 BRIDGED HETEROCYCLIC DERIVATIVES GPI NIL Holdings, Inc. (US) 2001-08-29 EP disclosed
WO-2000016603-A2 BRIDGED HETEROCYCLIC DERIVATIVES GPI NIL HOLDINGS, INC. (US) 2000-03-30 WO disclosed