SCHEMBL8395708

SCHEMBL8395708

O=C(NCC1CCCCC1)OCCCc1ccccc1

nearest known ligand 0.59

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 1/20 0.55
RECQL P46063 1/20 0.55
RAB9A P51151 1/20 0.55
SMN1; SMN2 Q16637 1/20 0.55
EPHX2 P34913 2/20 0.51
EPHX1 P07099 3/20 0.50
NAAA Q02083 2/20 0.50
LMNA P02545 1/20 0.49
FKBP1A P62942 2/20 0.47
NPSR1 Q6W5P4 1/20 0.47

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
SCHEMBL8392063 1.00 NPC1 (0.55) NPC1RECQLRAB9ASMN1; SMN2EPHX2
SCHEMBL8396686 0.99 SMN1; SMN2 (0.56) NPC1RECQLRAB9ASMN1; SMN2EPHX2
SCHEMBL8394496 0.96 SMN1; SMN2 (0.56) NPC1RECQLRAB9ASMN1; SMN2EPHX2
SCHEMBL8944652 0.93 SMN1; SMN2 (0.58) NPC1RECQLRAB9ASMN1; SMN2NAAA
SCHEMBL8944397 0.92 EPHX2 (0.53) NPC1RAB9ASMN1; SMN2EPHX2EPHX1
SCHEMBL8944739 0.92 EPHX2 (0.53) NPC1RAB9ASMN1; SMN2EPHX2EPHX1
SCHEMBL8944752 0.91 EPHX2 (0.51) NPC1RECQLRAB9ASMN1; SMN2EPHX2
SCHEMBL27493272 0.89 NAAA (0.55) NPC1RECQLRAB9ASMN1; SMN2NAAA
SCHEMBL8392576 0.88 GRIN2B (0.48) NPC1RECQLRAB9ASMN1; SMN2EPHX2
SCHEMBL8394113 0.87 HRH4 (0.60) NPC1RECQLRAB9ASMN1; SMN2EPHX2

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
US-5864043-A CARDIOVASCULAR DISORDERS AND ANGIOTENSIN ANTAGONIST KARL THOMAE GMBH (DE) 1999-01-26 US disclosed
US-5541229-A ANGIOITENSIN II ANTAGONIST AS HYPOTENSIVE AGENTS, ANTIISCHEMIC AGENTS AND CARDIOVASCULAR DISORDERS DR. KARL THOMAE GMBH (DE) 1996-07-30 US disclosed