SCHEMBL24023978

SCHEMBL24023978

OCSCCCCCCc1ccccc1

nearest known ligand 0.50

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
MAPT P10636 1/20 0.50
RXFP1 Q9HBX9 1/20 0.50
SIGMAR1 Q99720 10/20 0.48
CA2 P00918 1/20 0.47
MAOA P21397 1/20 0.47
TDP1 Q9NUW8 1/20 0.46
NOS1 P29475 1/20 0.46
MAOB P27338 1/20 0.45
ALOX5 P09917 1/20 0.44
HDAC1 Q13547 1/20 0.44
HDAC2 Q92769 1/20 0.44
IGF1R P08069 1/20 0.44
ALOX15 P16050 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
SCHEMBL10963241 0.87 SIGMAR1 (0.56) MAPTRXFP1SIGMAR1CA2MAOA
SCHEMBL8082718 0.87 SIGMAR1 (0.56) MAPTRXFP1SIGMAR1CA2MAOA
SCHEMBL2792349 0.87 SIGMAR1 (0.56) MAPTRXFP1SIGMAR1CA2MAOA
SCHEMBL28753423 0.86 TDP1 (0.50) MAPTRXFP1SIGMAR1CA2MAOA
SCHEMBL23015017 0.86 TDP1 (0.50) MAPTRXFP1SIGMAR1CA2MAOA
SCHEMBL775567 0.85 CYP1A2 (0.58) MAPTRXFP1SIGMAR1CA2MAOA
SCHEMBL27018791 0.85 CYP1A2 (0.58) CA2MAOATDP1NOS1MAOB
SCHEMBL5213519 0.80 SIGMAR1 (0.48) MAPTRXFP1SIGMAR1CA2MAOA
SCHEMBL23014992 0.80 SIGMAR1 (0.50) MAPTRXFP1SIGMAR1CA2MAOA
SCHEMBL12040641 0.80 SIGMAR1 (0.50) MAPTRXFP1SIGMAR1CA2MAOA

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-20210355548-A1 SPECIFIC EXPRESSION OF HALF-TRNA IN CANCERS THOMAS JEFFERSON UNIVERSITY (US) 2021-11-18 US disclosed