SCHEMBL9315481

SCHEMBL9315481

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

nearest known ligand 0.36

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
ALOX15 P16050 1/20 0.36
ADRB2 P07550 1/20 0.34
ADRA2A P08913 1/20 0.34
DRD2 P14416 1/20 0.34
ADRA2C P18825 1/20 0.34
DRD1 P21728 1/20 0.34
ADRA1A P35348 1/20 0.34
DRD3 P35462 1/20 0.34
FGFR1 P11362 2/20 0.31
MEN1 O00255 1/20 0.31
KMT2A Q03164 1/20 0.31
NPSR1 Q6W5P4 1/20 0.31
ELANE P08246 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
SCHEMBL9314392 0.86 CYP4F2 (0.40)
SCHEMBL9314269 0.85 ALOX15 (0.36) ALOX15FGFR1KMT2A
SCHEMBL9315565 0.85
SCHEMBL9315727 0.85 NCEH1 (0.39) KMT2A
SCHEMBL9316283 0.83 ALOX15 (0.39) ALOX15
SCHEMBL9314372 0.83 KMT2A (0.30) KMT2A
SCHEMBL9316330 0.83 NCEH1 (0.37)
SCHEMBL9315350 0.82
SCHEMBL9315241 0.81 ALOX5AP (0.33) ALOX15
SCHEMBL9315510 0.81

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