SCHEMBL9176290

SCHEMBL9176290

C[C@@H](C#Cc1cccc(Oc2ccc(C#N)cc2)c1)NO

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALOX5 P09917 2/20 0.49
ACACB O00763 2/20 0.41
ACACA Q13085 1/20 0.41
SCN9A Q15858 6/20 0.40
CYP19A1 P11511 1/20 0.40
KDM4E B2RXH2 1/20 0.40
MEN1 O00255 1/20 0.40
LMNA P02545 1/20 0.40
POLB P06746 1/20 0.40
MAPT P10636 1/20 0.40
PKM P14618 1/20 0.40
MAPK1 P28482 1/20 0.40
RAB9A P51151 1/20 0.40
KMT2A Q03164 1/20 0.40
IL18 Q14116 1/20 0.40
PDE4A P27815 2/20 0.39
PDE4B Q07343 2/20 0.39
PDE4C Q08493 2/20 0.39
PDE4D Q08499 2/20 0.39
HAO1 Q9UJM8 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
SCHEMBL8198208 0.86 ALOX5 (0.61) ALOX5ACACBACACAMEN1LMNA
SCHEMBL9175836 0.78 ALOX5 (0.69) ALOX5ACACBACACASCN9AKDM4E
SCHEMBL10927383 0.73 CYP19A1 (0.59) SCN9ACYP19A1KDM4EMEN1LMNA
SCHEMBL10923033 0.73 PDE4A (0.55) SCN9ACYP19A1MEN1MAPTKMT2A
SCHEMBL9171356 0.73 MAPT (0.47) ALOX5SCN9ACYP19A1KDM4EMEN1
SCHEMBL7073983 0.72 CYP19A1 (0.54) CYP19A1KDM4EMEN1LMNAPOLB
SCHEMBL15472272 0.72 MAPT (0.50) ALOX5SCN9ACYP19A1MEN1MAPT
SCHEMBL9352092 0.72 ALOX5 (0.61) ALOX5ACACBKDM4EMEN1LMNA
SCHEMBL507026 0.72 CYP19A1 (0.47) ALOX5SCN9ACYP19A1KDM4EMEN1
SCHEMBL8203531 0.71 ALOX5 (0.67) ALOX5ACACBACACASCN9AMEN1

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-0652864-A1 HYDROXAMIC ACID DERIVATIVES AND THEIR USE AS ANTI-INFLAMMATORY COMPOUNDS THE WELLCOME FOUNDATION LIMITED (GB) 1995-05-17 EP disclosed
WO-1994002448-A1 HYDROXAMIC ACID DERIVATIVES AND THEIR USE AS ANTI-INFLAMMATORY COMPOUNDS THE WELLCOME FOUNDATION LIMITED (GB) 1994-02-03 WO disclosed