SCHEMBL19205915

SCHEMBL19205915

CC(C=Cc1ccccc1)C(=CC=Cc1ccccc1)C(=O)O

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GRIK1 P39086 1/20 0.46
MCL1 Q07820 1/20 0.45
CYP1A2 P05177 3/20 0.44
HDAC3 O15379 2/20 0.44
HDAC4 P56524 2/20 0.44
HDAC1 Q13547 2/20 0.44
HDAC7 Q8WUI4 2/20 0.44
HDAC2 Q92769 2/20 0.44
HDAC10 Q969S8 2/20 0.44
HDAC11 Q96DB2 2/20 0.44
HDAC8 Q9BY41 2/20 0.44
HDAC6 Q9UBN7 2/20 0.44
HDAC9 Q9UKV0 2/20 0.44
HDAC5 Q9UQL6 2/20 0.44
CYP2C9 P11712 2/20 0.43
HPGD P15428 2/20 0.43
MAOB P27338 3/20 0.41
TDP1 Q9NUW8 2/20 0.41
GLA P06280 1/20 0.41
CYP3A4 P08684 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
SCHEMBL9507943 0.89 HDAC3 (0.47) GRIK1MCL1CYP1A2HDAC3HDAC4
SCHEMBL9422272 0.88 CYP1A2 (0.40) GRIK1MCL1CYP1A2HDAC3HDAC4
SCHEMBL328948 0.88 GRIK1 (0.42) GRIK1MCL1CYP1A2HDAC3HDAC4
SCHEMBL8211323 0.86 MCL1 (0.43) GRIK1MCL1CYP1A2HDAC3HDAC4
SCHEMBL6705335 0.86 MCL1 (0.49) GRIK1MCL1CYP1A2HDAC3HDAC4
SCHEMBL10482273 0.83 AKR1C3 (0.45) GRIK1MCL1CYP1A2HDAC3HDAC4
SCHEMBL11753579 0.77 CYP1A2 (0.58) CYP1A2HDAC3HDAC4HDAC1HDAC7
SCHEMBL14175061 0.77 CYP1A2 (0.58) CYP1A2HDAC3HDAC4HDAC1HDAC7
SCHEMBL11753570 0.77 CYP1A2 (0.58) CYP1A2HDAC3HDAC4HDAC1HDAC7
SCHEMBL179701 0.76 CYP1A2 (0.49) CYP1A2HDAC3HDAC4HDAC1HDAC7

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
US-10481126-B2 Electrolyte-gated transistors for detection of molecules REGENTS OF THE UNIVERSITY OF MINNESOTA (US) 2019-11-19 US disclosed
US-20170234830-A1 ELECTROLYTE-GATED TRANSISTORS FOR DETECTION OF MOLECULES REGENTS OF THE UNIVERSITY OF MINNESOTA 2017-08-17 US disclosed