SCHEMBL9315580

SCHEMBL9315580

CC1CCC(CCC(=O)Oc2ccc(F)c([Ti](C3=CC=CC3)(C3=CC=CC3)c3c(F)ccc(OC(=O)CCC4CCC(C)CC4)c3F)c2F)CC1

nearest known ligand 0.34

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
HPGD P15428 8/20 0.34
ALDH1A1 P00352 1/20 0.32
L3MBTL1 Q9Y468 1/20 0.32
KLK7 P49862 2/20 0.31
GPR119 Q8TDV5 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
SCHEMBL9316283 0.84 ALOX15 (0.39)
SCHEMBL9314269 0.82 ALOX15 (0.36) HPGD
SCHEMBL9315320 0.81 ALOX15 (0.41) ALDH1A1
SCHEMBL9315698 0.81 ALOX15 (0.41) ALDH1A1
SCHEMBL9314331 0.81 ALOX15 (0.41) ALDH1A1
SCHEMBL9315241 0.80 ALOX5AP (0.33) HPGDALDH1A1
SCHEMBL9314392 0.78 CYP4F2 (0.40) ALDH1A1
SCHEMBL9315481 0.77 ALOX15 (0.36)
SCHEMBL9315519 0.77 PLA2G4B (0.32) ALDH1A1L3MBTL1
SCHEMBL9315652 0.76 ESR1 (0.37) HPGDL3MBTL1

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