SCHEMBL11378355

SCHEMBL11378355

OCc1ccc(OCCCCl)cn1

nearest known ligand 0.44

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
HRH3 Q9Y5N1 2/20 0.42
LTA4H P09960 1/20 0.36
KCNH2 Q12809 1/20 0.34
CYP4F2 P78329 2/20 0.33
CYP4A11 Q02928 2/20 0.33
NPC1 O15118 1/20 0.33
RAB9A P51151 1/20 0.33
SMN1; SMN2 Q16637 1/20 0.33
HSD17B10 Q99714 1/20 0.33
S1PR4 O95977 1/20 0.33
CCR1 P32246 1/20 0.32

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
SCHEMBL11423013 0.95 HRH3 (0.41) HRH3LTA4HCYP4F2CYP4A11
Hydrochloric Acid SCHEMBL11382535 0.93 HRH3 (0.40) HRH3LTA4HCYP4F2CYP4A11
SCHEMBL3334122 0.85 LTA4H (0.46) HRH3LTA4HNPC1RAB9ASMN1; SMN2
SCHEMBL23530082 0.82 HRH3 (0.40) HRH3LTA4H
SCHEMBL1758566 0.81 ALDH1A1 (0.40) HRH3LTA4H
SCHEMBL11471063 0.81 LTA4H (0.46) HRH3LTA4HNPC1RAB9ASMN1; SMN2
SCHEMBL9334195 0.81 NR5A1 (0.54) LTA4HNPC1RAB9ASMN1; SMN2HSD17B10
SCHEMBL17544106 0.80 CBFB (0.46) HRH3LTA4H
SCHEMBL29549754 0.80 ATM (0.42) HRH3LTA4H
SCHEMBL23529948 0.80 ATM (0.42) HRH3LTA4H

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 4 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-4260620-A HYPOTENSIVE AGENTS CIBA-GEIGY CORPORATION (US) 1981-04-07 US disclosed
US-4229448-A 5-Substituted picolinic acid derivatives and an anti-hypertensive composition containing the same MEUJI SEIKA KAISHA LTD. (JP) 1980-10-21 US disclosed
US-4202901-A HYPOTENSIVE AGENTS CIBA-GEIGY CORPORATION (US) 1980-05-13 US disclosed
US-4197302-A HYPOTENSIVE AGENTS, 5-ETHERIFIED, ALSO ESTERS, AMIDES, HYDRAZIDES CIBA-GEIGY CORPORATION (US) 1980-04-08 US disclosed