SCHEMBL9315337

SCHEMBL9315337

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

nearest known ligand 0.37

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
CYP4F2 P78329 1/20 0.36
CYP4A11 Q02928 1/20 0.36
PIM1 P11309 1/20 0.34
GBA1 P04062 1/20 0.31
KDM4E B2RXH2 2/20 0.31
ALDH1A1 P00352 1/20 0.31
GAA P10253 1/20 0.31
TSHR P16473 1/20 0.31
RAB9A P51151 1/20 0.31
PTGS1 P23219 1/20 0.30
PTGS2 P35354 1/20 0.30
CFD P00746 1/20 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
SCHEMBL5916047 0.80
SCHEMBL9314392 0.78 CYP4F2 (0.40) CYP4F2CYP4A11KDM4EALDH1A1GAA
SCHEMBL9314657 0.76 KMT2A (0.35) ALDH1A1GAA
SCHEMBL483303 0.75 ADORA2A (0.31)
SCHEMBL29104870 0.72 EPHX2 (0.31)
SCHEMBL2495571 0.70
SCHEMBL5916061 0.70
SCHEMBL482886 0.70 TSHR (0.38) KDM4EALDH1A1GAATSHR
SCHEMBL2501512 0.70
SCHEMBL156400 0.69 CYP4F2 (0.51) CYP4F2CYP4A11PIM1KDM4EALDH1A1

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