SCHEMBL14980957

SCHEMBL14980957

NC(=O)C1CCCCC1(O)C(=O)c1ccccc1

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CNR2 P34972 4/20 0.39
CNR1 P21554 1/20 0.39
OPRM1 P35372 1/20 0.38
OPRD1 P41143 1/20 0.38
OPRK1 P41145 1/20 0.38
AKR1C1 Q04828 1/20 0.38
KMT2A Q03164 2/20 0.36
MCL1 Q07820 1/20 0.36
LMNA P02545 1/20 0.36
MAPT P10636 2/20 0.36
POLB P06746 1/20 0.36
CYP3A4 P08684 1/20 0.36
PARP1 P09874 1/20 0.36
TSHR P16473 1/20 0.36
CYP2C19 P33261 1/20 0.36
RECQL P46063 1/20 0.36
BLM P54132 1/20 0.36
PMP22 Q01453 1/20 0.36
HSD17B10 Q99714 1/20 0.36
TDP1 Q9NUW8 1/20 0.36

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
SCHEMBL3314911 0.88 CNR2 (0.41) CNR2CNR1AKR1C1KMT2AMCL1
SCHEMBL31253337 0.88 CNR2 (0.44) CNR2CNR1AKR1C1KMT2AMCL1
SCHEMBL13871145 0.85 CNR2 (0.39) CNR2CNR1OPRM1OPRD1OPRK1
SCHEMBL6268395 0.84 CNR2 (0.39) CNR2CNR1AKR1C1KMT2AMCL1
SCHEMBL14041457 0.83 PRSS1 (0.36) OPRM1OPRD1OPRK1KMT2AALDH1A1
SCHEMBL14980948 0.83 NPC1 (0.46) CNR2MAPTPOLBPARP1L3MBTL1
SCHEMBL14980950 0.81 ALDH1A1 (0.39) CNR2CNR1AKR1C1KMT2ALMNA
SCHEMBL3315068 0.81 CYP1A2 (0.43) CNR2CNR1OPRM1OPRK1KMT2A
SCHEMBL13417044 0.80 CNR2 (0.39) CNR2CNR1AKR1C1MCL1LMNA
SCHEMBL3318444 0.80 ATM (0.37) CNR2CNR1KMT2ALMNAPOLB

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-2129659-B1 ALPHA-HYDROXYKETONES BASF SE (DE) 2013-05-29 EP disclosed