SCHEMBL15547234

SCHEMBL15547234

O=C(O)C1(c2cccc(Oc3ccccc3)c2)CC1

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
AKR1C1 Q04828 1/20 0.53
AKR1C3 P42330 1/20 0.50
KMT2A Q03164 1/20 0.47
ADAM17 P78536 1/20 0.47
FFAR4 Q5NUL3 1/20 0.45
HDAC8 Q9BY41 1/20 0.45
ALDH1A1 P00352 2/20 0.44
KDM4E B2RXH2 1/20 0.44
MITF O75030 1/20 0.44
POLB P06746 1/20 0.44
MAPK1 P28482 1/20 0.44
HTT P42858 1/20 0.44
PTGS1 P23219 1/20 0.44
PARP10 Q53GL7 1/20 0.43
NPC1 O15118 1/20 0.43
EPHX2 P34913 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
SCHEMBL28161105 0.88 AKR1C1 (0.45) AKR1C1AKR1C3KMT2AADAM17FFAR4
SCHEMBL15557324 0.84 ADAM17 (0.58) AKR1C3KMT2AADAM17FFAR4HDAC8
SCHEMBL349007 0.84 AKR1C1 (0.58) AKR1C1KMT2APARP10
SCHEMBL1465003 0.83 KMT2A (0.50) AKR1C1KMT2AADAM17ALDH1A1
SCHEMBL23972280 0.81 F2 (0.46) AKR1C3ADAM17FFAR4PARP10
SCHEMBL10083334 0.80 MAOB (0.57) KMT2AADAM17ALDH1A1KDM4E
SCHEMBL21826168 0.80 HDAC3 (0.48) AKR1C1AKR1C3KMT2AEPHX2
SCHEMBL11470727 0.79 KMT2A (0.47) KMT2AADAM17ALDH1A1
SCHEMBL11479326 0.79 KMT2A (0.47) KMT2AKDM4EPARP10
SCHEMBL10083734 0.78 KMT2A (0.46) AKR1C1AKR1C3KMT2AALDH1A1

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
WO-2014015341-A2 COMPOSITIONS AND METHODS FOR SUBSTRATE-SELECTIVE INHIBITION OF ENDOCANNABINOID OXYGENATION VANDERBILT UNIVERSITY (US) 2014-01-23 WO disclosed