SCHEMBL14995437

SCHEMBL14995437

C=C(CC(C)(N)c1ccccc1)C(=O)O

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP2C19 P33261 2/20 0.47
HIF1A Q16665 2/20 0.47
TET2 Q6N021 1/20 0.44
MAPT P10636 1/20 0.44
KMT2A Q03164 1/20 0.44
CYP1A2 P05177 3/20 0.41
CYP2D6 P10635 1/20 0.41
TAAR1 Q96RJ0 1/20 0.38
KIF11 P52732 1/20 0.38
HDAC3 O15379 1/20 0.38
HDAC4 P56524 1/20 0.38
HDAC1 Q13547 1/20 0.38
HDAC7 Q8WUI4 1/20 0.38
HDAC2 Q92769 1/20 0.38
HDAC10 Q969S8 1/20 0.38
HDAC11 Q96DB2 1/20 0.38
HDAC8 Q9BY41 1/20 0.38
HDAC6 Q9UBN7 1/20 0.38
HDAC9 Q9UKV0 1/20 0.38
HDAC5 Q9UQL6 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
SCHEMBL9799303 0.81 CYP2C19 (0.50) CYP2C19HIF1ATET2MAPTKMT2A
SCHEMBL2295046 0.81 CYP2C19 (0.64) CYP2C19HIF1AMAPTKMT2ACYP1A2
SCHEMBL167044 0.81 CYP2C19 (0.64) CYP2C19HIF1AMAPTKMT2ACYP1A2
SCHEMBL2300536 0.81 CYP2C19 (0.64) CYP2C19HIF1AMAPTKMT2ACYP1A2
Hydrochloric Acid SCHEMBL5860902 0.79 CYP2C19 (0.62) CYP2C19HIF1AMAPTKMT2ACYP1A2
SCHEMBL11124539 0.77 CYP2C19 (0.44) CYP2C19HIF1ATET2MAPTKMT2A
SCHEMBL25168750 0.75 CYP2C19 (0.47) CYP2C19HIF1AMAPTKMT2ACYP1A2
SCHEMBL8609279 0.73 TET2 (0.43) CYP2C19HIF1ATET2MAPTKMT2A
SCHEMBL28100629 0.72 HSD11B1 (0.50) CYP2C19HIF1AMAPTKMT2AALDH1A1
SCHEMBL1456007 0.72 TAAR1 (0.50) CYP2C19HIF1AMAPTKMT2ACYP1A2

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-2785296-A1 OCULAR MASK HAVING SELECTIVE SPECTRAL TRANSMISSION AcuFocus, Inc. (US) 2014-10-08 EP disclosed
WO-2013082545-A1 OCULAR MASK HAVING SELECTIVE SPECTRAL TRANSMISSION ACUFOCUS, INC. (US) 2013-06-06 WO disclosed