SCHEMBL8919213

SCHEMBL8919213

[CH2]CCOc1ccc(OCCCC)cc1

nearest known ligand 0.57

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LTA4H P09960 4/20 0.57
NR5A1 Q13285 1/20 0.55
CYP2D6 P10635 3/20 0.53
CYP3A4 P08684 2/20 0.53
TSHR P16473 2/20 0.52
CA12 O43570 1/20 0.52
CA1 P00915 1/20 0.52
CA2 P00918 1/20 0.52
CA7 P43166 1/20 0.52
CA9 Q16790 1/20 0.52
RAB9A P51151 2/20 0.48
CYP1A2 P05177 2/20 0.48
CYP19A1 P11511 2/20 0.48
CYP2C9 P11712 2/20 0.48
CYP2C19 P33261 2/20 0.48
GAA P10253 1/20 0.48
TP53 P04637 1/20 0.48
NPC1 O15118 1/20 0.47
SMN1; SMN2 Q16637 1/20 0.47
HSD17B10 Q99714 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
SCHEMBL8778513 0.91 LTA4H (0.57) LTA4HNR5A1CYP2D6CYP3A4TSHR
SCHEMBL3036689 0.88 LMNA (0.54) LTA4HCYP2D6CYP3A4TSHRCYP1A2
SCHEMBL26850 0.87 LTA4H (0.70) LTA4HNR5A1CYP2D6CYP3A4TSHR
SCHEMBL8458055 0.86 NR5A1 (0.62) LTA4HNR5A1CYP2D6CYP3A4TSHR
SCHEMBL7477094 0.86 NR5A1 (0.62) LTA4HNR5A1TSHRRAB9AGAA
SCHEMBL11042247 0.86 NQO1 (0.67) LTA4HCYP2D6TSHRCA12CA1
SCHEMBL5492634 0.86 LTA4H (0.57) LTA4HNR5A1CYP2D6CYP3A4TSHR
SCHEMBL16411213 0.85 ALDH1A1 (0.63) NR5A1CYP3A4RAB9ATP53NPC1
SCHEMBL11046727 0.85 NR5A1 (0.66) LTA4HNR5A1TSHRRAB9AGAA
SCHEMBL7324144 0.85 NR5A1 (0.66) LTA4HNR5A1TSHRRAB9AGAA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0152379-A2 Process for preparing pharmaceutical compositions containing unilamellar liposomes CIBA-GEIGY AG (CH) 1985-08-21 EP claimed
US-5591751-A CARBOSTYRIL DERIVATIVES OTSUKA PHARMACEUTICAL CO., LTD. (JP) 1997-01-07 US disclosed
EP-0636128-A1 PIPERAZINOCARBONYLCARBOSTYRILS AS PERIPHERAL VASODILATORS OTSUKA PHARMACEUTICAL CO., LTD. (JP) 1995-02-01 EP disclosed
WO-1994019339-A1 PIPERAZINOCARBONYLCARBOSTYRILS AS PERIPHERAL VASODILATORS OTSUKA PHARMACEUTICAL CO., LTD. (JP) 1994-09-01 WO disclosed
EP-0152379-A2 Process for preparing pharmaceutical compositions containing unilamellar liposomes CIBA-GEIGY AG (CH) 1985-08-21 EP disclosed