SCHEMBL9252653

SCHEMBL9252653

CCCCCOC(O)c1ccccc1

nearest known ligand 0.50

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
LMNA P02545 3/20 0.50
NPC1 O15118 2/20 0.50
RAB9A P51151 2/20 0.50
SMN1; SMN2 Q16637 2/20 0.50
LTA4H P09960 1/20 0.44
NAAA Q02083 2/20 0.44
TSHR P16473 3/20 0.43
TP53 P04637 2/20 0.43
CYP3A4 P08684 1/20 0.43
MAPK1 P28482 1/20 0.43
ALDH1A1 P00352 2/20 0.43
ASAH1 Q13510 1/20 0.42

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
Benzene SCHEMBL28115200 1.00 LMNA (0.50) LMNANPC1RAB9ASMN1; SMN2LTA4H
SCHEMBL28403155 0.98 NPC1 (0.51) LMNANPC1RAB9ASMN1; SMN2LTA4H
SCHEMBL10618772 0.98 NPC1 (0.51) LMNANPC1RAB9ASMN1; SMN2LTA4H
SCHEMBL29211021 0.98 NPC1 (0.51) LMNANPC1RAB9ASMN1; SMN2LTA4H
SCHEMBL4850677 0.98 NPC1 (0.51) LMNANPC1RAB9ASMN1; SMN2LTA4H
SCHEMBL9750029 0.98 NPC1 (0.51) LMNANPC1RAB9ASMN1; SMN2LTA4H
SCHEMBL10430492 0.98 NPC1 (0.51) LMNANPC1RAB9ASMN1; SMN2LTA4H
SCHEMBL28706904 0.98 NPC1 (0.51) LMNANPC1RAB9ASMN1; SMN2LTA4H
SCHEMBL28903655 0.98 NPC1 (0.51) LMNANPC1RAB9ASMN1; SMN2LTA4H
Phosphine SCHEMBL28305363 0.98 LMNA (0.49) LMNANPC1RAB9ASMN1; SMN2LTA4H

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-5391817-A Antiinflammatory agents BRISTOL-MYERS SQUIBB (US) 1995-02-21 US disclosed