SCHEMBL7880682

SCHEMBL7880682

NC(CC(=O)C(F)(F)F)NC(N)CC(=O)C(F)(F)F

nearest known ligand 0.35

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
CPA1 P15085 1/20 0.35
HDAC6 Q9UBN7 1/20 0.33
FAAH O00519 8/20 0.32
PLOD2 O00469 2/20 0.31
CES1 P23141 6/20 0.31
CES2 O00748 2/20 0.31
MEN1 O00255 1/20 0.31
CYP1A2 P05177 1/20 0.31
KMT2A Q03164 1/20 0.31
HSD17B10 Q99714 1/20 0.31
PLOD3 O60568 1/20 0.31
PLOD1 Q02809 1/20 0.31
ALDH1A1 P00352 1/20 0.30
POLB P06746 1/20 0.30
SMN1; SMN2 Q16637 1/20 0.30

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
SCHEMBL26302474 0.73 FAAH (0.38) CPA1FAAHCES1CES2MEN1
SCHEMBL28700671 0.73 CPA1 (0.36) CPA1HDAC6FAAHCES1CES2
Hydrochloric Acid SCHEMBL27418238 0.70 GRIK1 (0.45) CPA1
SCHEMBL1492542 0.67 ALDH1A1 (0.46) CPA1FAAHCES1CES2MEN1
SCHEMBL3628918 0.67 CPA1 (0.38) CPA1FAAHPLOD2CES1CES2
SCHEMBL183178 0.67 PLOD2 (0.46) HDAC6FAAHPLOD2CES1CES2
SCHEMBL23326065 0.65 CETP (0.42) CPA1FAAHCES1CES2MEN1
SCHEMBL27044758 0.65 FAAH (0.39) CPA1FAAHCES1CES2MEN1
Water SCHEMBL7191917 0.64 PLOD2 (0.44) HDAC6FAAHPLOD2CES1CES2
SCHEMBL7213763 0.64 PLOD2 (0.44) HDAC6FAAHPLOD2CES1CES2

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-6248306-B1 MEDICAL DIAGNOSIS SCHERING AKTIENGESELLSCHAFT (DE) 2001-06-19 US disclosed