SCHEMBL8499982

SCHEMBL8499982

[CH2]C(=O)NCC(C)(C)c1ccccc1

nearest known ligand 0.52

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
CYP2C19 P33261 1/20 0.44
HIF1A Q16665 1/20 0.44
TAAR1 Q96RJ0 1/20 0.44
HDAC3 O15379 1/20 0.43
HDAC4 P56524 1/20 0.43
HDAC1 Q13547 1/20 0.43
HDAC7 Q8WUI4 1/20 0.43
HDAC2 Q92769 1/20 0.43
HDAC10 Q969S8 1/20 0.43
HDAC11 Q96DB2 1/20 0.43
HDAC8 Q9BY41 1/20 0.43
HDAC6 Q9UBN7 1/20 0.43
HDAC9 Q9UKV0 1/20 0.43
HDAC5 Q9UQL6 1/20 0.43
MAPT P10636 1/20 0.41
KMT2A Q03164 1/20 0.41
CNR1 P21554 1/20 0.41
CNR2 P34972 1/20 0.41
CACNA1G O43497 1/20 0.40

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
SCHEMBL3112777 0.85 CYP2C19 (0.47) CYP2C19HIF1ATAAR1HDAC3HDAC4
SCHEMBL8499984 0.83 ACACB (0.51) CYP2C19HIF1ATAAR1HDAC3HDAC4
SCHEMBL9517017 0.81 MAPT (0.50) CYP2C19HIF1ATAAR1HDAC3HDAC4
SCHEMBL17662698 0.80 KCNN4 (0.47) CYP2C19HIF1ATAAR1HDAC3HDAC4
SCHEMBL2332445 0.80 PRSS1 (0.61)
SCHEMBL19747523 0.79 HDAC3 (0.44) CYP2C19HIF1ATAAR1HDAC3HDAC4
SCHEMBL9354938 0.79 CNR1 (0.42) CYP2C19HIF1ATAAR1HDAC3HDAC4
SCHEMBL630419 0.77 IDO1 (0.47) CYP2C19HIF1AKMT2A
SCHEMBL7739108 0.76 CYP2C19 (0.61) CYP2C19HIF1ATAAR1HDAC3HDAC4
SCHEMBL20350427 0.76 GAA (0.49) HDAC3HDAC4HDAC1HDAC7HDAC2

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-0938494-A1 INHIBITORS OF PROTEIN FARNESYL TRANSFERASE WARNER-LAMBERT COMPANY (US) 1999-09-01 EP disclosed
WO-1997044350-A1 INHIBITORS OF PROTEIN FARNESYL TRANSFERASE WARNER-LAMBERT COMPANY (US) 1997-11-27 WO disclosed