SCHEMBL9112633

SCHEMBL9112633

COC(=O)[C@H]1CN(Cc2ccccc2)C[C@H]1C(=O)O

nearest known ligand 0.59

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
S1PR5 Q9H228 6/20 0.52
S1PR1 P21453 3/20 0.52
FUCA1 P04066 2/20 0.47
USP30 Q70CQ3 1/20 0.47
ALDH1A1 P00352 1/20 0.47
SIGMAR1 Q99720 1/20 0.46

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
SCHEMBL5119476 1.00 S1PR5 (0.52) S1PR5S1PR1FUCA1USP30ALDH1A1
SCHEMBL19064205 1.00 S1PR5 (0.52) S1PR5S1PR1FUCA1USP30ALDH1A1
SCHEMBL19121611 1.00 S1PR5 (0.52) S1PR5S1PR1FUCA1USP30ALDH1A1
SCHEMBL8229357 1.00 S1PR5 (0.52) S1PR5S1PR1FUCA1USP30ALDH1A1
SCHEMBL585359 1.00 S1PR5 (0.52) S1PR5S1PR1FUCA1USP30ALDH1A1
SCHEMBL9112639 1.00 S1PR5 (0.52) S1PR5S1PR1FUCA1USP30ALDH1A1
SCHEMBL585358 0.95 S1PR5 (0.53) S1PR5S1PR1FUCA1USP30SIGMAR1
SCHEMBL6232439 0.95 S1PR5 (0.53) S1PR5S1PR1FUCA1USP30SIGMAR1
SCHEMBL585357 0.95 S1PR5 (0.53) S1PR5S1PR1FUCA1USP30SIGMAR1
SCHEMBL6232433 0.95 S1PR5 (0.53) S1PR5S1PR1FUCA1USP30SIGMAR1

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
WO-1995007022-A1 FUNGICIDES ZENECA LIMITED (GB) 1995-03-16 WO disclosed