SCHEMBL9315652

SCHEMBL9315652

O=C(Oc1ccc(F)c([Ti](C2=CC=CC2)(C2=CC=CC2)c2c(F)ccc(OC(=O)C3CCCCC3)c2F)c1F)C1CCCCC1

nearest known ligand 0.37

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
ESR1 P03372 1/20 0.37
ESR2 Q92731 1/20 0.37
HPGD P15428 11/20 0.36
KMT2A Q03164 2/20 0.34
HTT P42858 1/20 0.34
SMN1; SMN2 Q16637 1/20 0.34
TDP1 Q9NUW8 1/20 0.34
POLB P06746 2/20 0.33
ELANE P08246 1/20 0.33
NPC1 O15118 1/20 0.32
RAB9A P51151 1/20 0.32
MEN1 O00255 1/20 0.32
MAPT P10636 1/20 0.32
L3MBTL1 Q9Y468 1/20 0.31

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 0.82 CYP4F2 (0.40) RAB9A
SCHEMBL9314269 0.79 ALOX15 (0.36) ESR1HPGDKMT2ASMN1; SMN2
SCHEMBL9315481 0.79 ALOX15 (0.36) KMT2AELANEMEN1
SCHEMBL9316330 0.79 NCEH1 (0.37) NPC1RAB9AMAPT
SCHEMBL9314372 0.79 KMT2A (0.30) KMT2A
SCHEMBL9315727 0.79 NCEH1 (0.39) KMT2AL3MBTL1
SCHEMBL9315350 0.78
SCHEMBL482571 0.78 KMT2A (0.43) KMT2ASMN1; SMN2MEN1
SCHEMBL9315510 0.77
SCHEMBL9315515 0.77

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