SCHEMBL4743549

SCHEMBL4743549

O=C(O)C(=Cc1ccccc1)CC1CCCC1

nearest known ligand 0.53

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
CYP3A4 P08684 1/20 0.53
CYP2C9 P11712 1/20 0.53
EPHX2 P34913 2/20 0.47
NPC1 O15118 1/20 0.45
RAB9A P51151 1/20 0.45
DPEP1 P16444 6/20 0.44
RECQL P46063 1/20 0.44
AKR1C3 P42330 1/20 0.42
AKR1C1 Q04828 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
SCHEMBL4740680 0.98 CYP3A4 (0.51) CYP3A4CYP2C9EPHX2NPC1RAB9A
SCHEMBL3856454 0.98 CYP3A4 (0.51) CYP3A4CYP2C9EPHX2NPC1RAB9A
SCHEMBL28251650 0.83 EPHX2 (0.46) CYP3A4CYP2C9EPHX2NPC1RAB9A
SCHEMBL28251201 0.82 EPHX2 (0.48) EPHX2NPC1RAB9ARECQL
SCHEMBL9261370 0.80 GRIK1 (0.51) EPHX2NPC1RAB9A
SCHEMBL6685162 0.77 ALDH1A1 (0.51) CYP3A4CYP2C9
SCHEMBL8003845 0.77 KDM4E (0.45) EPHX2NPC1RAB9ADPEP1
SCHEMBL1774350 0.77 CYP3A4 (0.53) CYP3A4CYP2C9RECQLAKR1C3AKR1C1
SCHEMBL12989483 0.76 ALDH1A1 (0.44) EPHX2NPC1RAB9ARECQLAKR1C3
SCHEMBL9354151 0.74 THRB (0.60) CYP3A4EPHX2NPC1RAB9A

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-2008103776-A2 THERMALLY CURED UNDERLAYER FOR LITHOGRAPHIC APPLICATION FUJIFILM ELECTRONIC MATERIALS U.S.A., INC. (US) 2008-08-28 WO disclosed