SCHEMBL2763196

SCHEMBL2763196

COC(=O)C(C)(C(=O)OC)c1ccc(C(=O)C2CC2)cc1

nearest known ligand 0.51

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
RAB9A P51151 2/20 0.51
NPC1 O15118 1/20 0.51
MEN1 O00255 5/20 0.45
KMT2A Q03164 5/20 0.45
POLB P06746 1/20 0.42
CYP2D6 P10635 1/20 0.41
ALDH1A1 P00352 3/20 0.39
HPGD P15428 1/20 0.39
HSD11B1 P28845 2/20 0.39
LMNA P02545 2/20 0.39
SRD5A2 P31213 1/20 0.38
MGLL Q99685 2/20 0.38
SMN1; SMN2 Q16637 1/20 0.38
PDE4B Q07343 1/20 0.38
PDE4D Q08499 1/20 0.38

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
SCHEMBL5732752 0.87 RAB9A (0.51) RAB9ANPC1MEN1KMT2APOLB
SCHEMBL2762846 0.81 MEN1 (0.51) RAB9ANPC1MEN1KMT2APOLB
SCHEMBL3674393 0.79 RAB9A (0.51) RAB9ANPC1MEN1KMT2APOLB
SCHEMBL11057658 0.79 MEN1 (0.63) RAB9ANPC1MEN1KMT2ACYP2D6
SCHEMBL2925097 0.76 MEN1 (0.49) RAB9ANPC1MEN1KMT2ACYP2D6
SCHEMBL12490673 0.75 NPC1 (0.61) RAB9ANPC1POLBALDH1A1HPGD
SCHEMBL1502290 0.75 MEN1 (0.51) RAB9ANPC1MEN1KMT2APOLB
SCHEMBL18765453 0.74 HRH2 (0.44) RAB9ANPC1MEN1KMT2ACYP2D6
SCHEMBL3675219 0.73 KMT2A (0.52) RAB9ANPC1MEN1KMT2ACYP2D6
SCHEMBL1502389 0.73 NPC1 (0.50) RAB9ANPC1MEN1KMT2APOLB

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
EP-1091938-B1 ANTIHISTAMINIC PIPERIDINE DERIVATIVES AND INTERMEDIATES FOR THE PREPARATION THEREOF AVENTISUB II INC (US) 2010-10-20 EP disclosed