SCHEMBL633700

SCHEMBL633700

C[C@H](OC(=O)CN1CCCCC1c1ccccc1F)c1ccccc1

nearest known ligand 0.43

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
LMNA P02545 1/20 0.41
ALDH1A1 P00352 1/20 0.41

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
SCHEMBL27839561 0.79 RIPK1 (0.45) ALDH1A1
SCHEMBL634686 0.79 RIPK1 (0.45) ALDH1A1
SCHEMBL24672521 0.78 SIGMAR1 (0.43) ALDH1A1
SCHEMBL30007971 0.73 ROCK2 (0.47) ALDH1A1
SCHEMBL636743 0.72 MAOB (0.41) LMNAALDH1A1
SCHEMBL28857176 0.71 GAA (0.46) LMNAALDH1A1
SCHEMBL9281430 0.70 MAOB (0.43) LMNA
SCHEMBL28317516 0.68 GAA (0.44) LMNAALDH1A1
SCHEMBL2789419 0.68 KMT2A (0.52) ALDH1A1
SCHEMBL22475220 0.68 KLK7 (0.63)

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2419433-A1 HEPATITIS C VIRUS INHIBITORS Bristol-Myers Squibb Company (US) 2012-02-22 EP disclosed
WO-2010120621-A1 HEPATITIS C VIRUS INHIBITORS BRISTOL-MYERS SQUIBB COMPANY (US) 2010-10-21 WO disclosed