SCHEMBL7912814

SCHEMBL7912814

CCC(C)(C)C(=O)C(=O)N1CCC[C@H]1C(=O)OCCCc1ccc2c(c1)OCO2

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
FKBP1A P62942 20/20 1.00
MTOR P42345 1/20 0.65
FKBP4 Q02790 1/20 0.65
FKBP5 Q13451 1/20 0.65

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
SCHEMBL5966178 0.97 FKBP1A (0.95) FKBP1AMTORFKBP4FKBP5
SCHEMBL3426604 0.83 FKBP1A (1.00) FKBP1AMTORFKBP4FKBP5
SCHEMBL3148722 0.82 FKBP1A (0.82) FKBP1AMTORFKBP4FKBP5
SCHEMBL7396367 0.81 FKBP1A (1.00) FKBP1AMTORFKBP4FKBP5
SCHEMBL5834555 0.81 FKBP1A (1.00) FKBP1AMTORFKBP4FKBP5
SCHEMBL7395994 0.80 FKBP1A (0.67) FKBP1A
SCHEMBL12311524 0.80 FKBP1A (0.67) FKBP1AMTORFKBP4FKBP5
SCHEMBL12311521 0.79 FKBP1A (0.95) FKBP1AMTORFKBP4FKBP5
SCHEMBL7938022 0.79 FKBP1A (0.65) FKBP1A
Gpi-1046 SCHEMBL4766380 0.79 FKBP1A (1.00) FKBP1AMTORFKBP4FKBP5

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-6239164-B1 IMMUNOPHILIN AFFINITY; NONIMMUNOSUPPRESSANT GPI NIL HOLDINGS, INC. 2001-05-29 US claimed