SCHEMBL8333228

SCHEMBL8333228

CCCCCCNC(=O)C1(CCC)CC1

nearest known ligand 0.54

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
SPHK1 Q9NYA1 6/20 0.54
EPHX1 P07099 8/20 0.52
CASP2 P42575 1/20 0.47
NAAA Q02083 2/20 0.44
HPGD P15428 2/20 0.44
SMN1; SMN2 Q16637 2/20 0.44
ZDHHC20 Q5W0Z9 1/20 0.44
ZDHHC2 Q9UIJ5 1/20 0.44
LMNA P02545 1/20 0.44
NPSR1 Q6W5P4 1/20 0.43

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
SCHEMBL3682206 0.93 SPHK1 (0.54) SPHK1EPHX1CASP2NAAAHPGD
SCHEMBL5450521 0.88 SPHK1 (0.50) SPHK1EPHX1CASP2NAAA
SCHEMBL5449643 0.88 SPHK1 (0.50) SPHK1EPHX1CASP2NAAA
SCHEMBL17600671 0.84 SPHK1 (0.54) SPHK1EPHX1CASP2NAAA
SCHEMBL11395604 0.84 CETP (0.47) SPHK1EPHX1NAAA
SCHEMBL29306656 0.84 SPHK1 (0.51) SPHK1EPHX1CASP2NAAAHPGD
SCHEMBL28594860 0.80 FAAH (0.46) SPHK1EPHX1
SCHEMBL18434965 0.78 SPHK1 (0.45) SPHK1EPHX1HPGDSMN1; SMN2LMNA
SCHEMBL26017783 0.78 SPHK1 (0.57) SPHK1EPHX1CASP2NAAAHPGD
SCHEMBL16618457 0.76 SPHK1 (0.59) SPHK1EPHX1CASP2NAAAHPGD

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0868182-A4 PROCESS FOR PRODUCTION OF PIPERIDINE DERIVATIVES ALBANY MOLECULAR RES INC (US) 1999-04-07 EP disclosed
EP-0868182-A1 PROCESS FOR PRODUCTION OF PIPERIDINE DERIVATIVES ALBANY MOLECULAR RESEARCH, INC. (US) 1998-10-07 EP disclosed
WO-1997023213-A1 PROCESS FOR PRODUCTION OF PIPERIDINE DERIVATIVES ALBANY MOLECULAR RESEARCH, INC. (US) 1997-07-03 WO disclosed
WO-1997009983-A1 PIPERIDINE DERIVATIVES AND PROCESSES FOR THEIR PRODUCTION ALBANY MOLECULAR RESEARCH, INC. (US) 1997-03-20 WO disclosed