SCHEMBL8944752

SCHEMBL8944752

O=C(NCC1CCCC1)OCCc1ccccc1

nearest known ligand 0.51

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
EPHX2 P34913 2/20 0.51
EPHX1 P07099 2/20 0.50
GRIN2B Q13224 1/20 0.48
NPC1 O15118 3/20 0.47
RAB9A P51151 3/20 0.47
ALDH1A1 P00352 1/20 0.46
MGLL Q99685 1/20 0.46
SMN1; SMN2 Q16637 3/20 0.45
TAAR1 Q96RJ0 2/20 0.45
TP53 P04637 1/20 0.45
TSHR P16473 1/20 0.45
NPSR1 Q6W5P4 1/20 0.45
RECQL P46063 1/20 0.44

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
SCHEMBL8944397 0.99 EPHX2 (0.53) EPHX2EPHX1GRIN2BNPC1RAB9A
SCHEMBL8944739 0.99 EPHX2 (0.53) EPHX2EPHX1GRIN2BNPC1RAB9A
SCHEMBL8392576 0.97 GRIN2B (0.48) EPHX2EPHX1GRIN2BNPC1RAB9A
SCHEMBL8396273 0.94 GRIN2B (0.50) EPHX2GRIN2BNPC1RAB9AALDH1A1
SCHEMBL8396686 0.92 SMN1; SMN2 (0.56) EPHX2EPHX1NPC1RAB9AALDH1A1
SCHEMBL8392063 0.91 NPC1 (0.55) EPHX2EPHX1NPC1RAB9ASMN1; SMN2
SCHEMBL8395708 0.91 NPC1 (0.55) EPHX2EPHX1NPC1RAB9ASMN1; SMN2
SCHEMBL9293477 0.90 GRIN2B (0.43) EPHX2EPHX1GRIN2BNPC1RAB9A
SCHEMBL8394496 0.89 SMN1; SMN2 (0.56) EPHX2NPC1RAB9AALDH1A1SMN1; SMN2
SCHEMBL8393530 0.86 EPHX2 (0.52) EPHX2EPHX1NPC1RAB9ASMN1; SMN2

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
US-5541229-A ANGIOITENSIN II ANTAGONIST AS HYPOTENSIVE AGENTS, ANTIISCHEMIC AGENTS AND CARDIOVASCULAR DISORDERS DR. KARL THOMAE GMBH (DE) 1996-07-30 US disclosed