SCHEMBL9315519

SCHEMBL9315519

CCCCOCC(=O)Oc1ccc(F)c([Ti](C2=CC=CC2)(C2=CC=CC2)c2c(F)ccc(OC(=O)COCCCC)c2F)c1F

nearest known ligand 0.32

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
PLA2G4B P0C869 3/20 0.32
NCEH1 Q6PIU2 1/20 0.32
ALDH1A1 P00352 1/20 0.31
TDP1 Q9NUW8 1/20 0.31
L3MBTL1 Q9Y468 1/20 0.31
FAAH O00519 7/20 0.30

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
SCHEMBL9314331 0.85 ALOX15 (0.41) ALDH1A1TDP1
SCHEMBL9315698 0.85 ALOX15 (0.41) ALDH1A1TDP1
SCHEMBL9315320 0.85 ALOX15 (0.41) ALDH1A1TDP1
SCHEMBL9316283 0.85 ALOX15 (0.39)
SCHEMBL9314269 0.85 ALOX15 (0.36)
SCHEMBL10385987 0.82 L3MBTL1 (0.35) TDP1L3MBTL1
SCHEMBL10388379 0.82 RARB (0.34) L3MBTL1
SCHEMBL9315270 0.81 POLM (0.43) FAAH
SCHEMBL9315241 0.80 ALOX5AP (0.33) ALDH1A1TDP1FAAH
SCHEMBL9315766 0.80 NCEH1 (0.43) NCEH1

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-5306600-A Oxygen-containing titanocenes, and the use thereof CIBA-GEIGY CORPORATION (US) 1994-04-26 US disclosed
US-5192642-A Photoinitiators for addition photopolymerization, coatings CIBA-GEIGY CORPORATION (US) 1993-03-09 US disclosed