SCHEMBL9315698

SCHEMBL9315698

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

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALOX15 P16050 1/20 0.41
TOP2A P11388 2/20 0.39
POLM Q9NP87 2/20 0.37
POLK Q9UBT6 2/20 0.37
POLL Q9UGP5 2/20 0.37
POLH Q9Y253 2/20 0.37
KMT2A Q03164 3/20 0.35
SMN1; SMN2 Q16637 1/20 0.35
PPARG P37231 2/20 0.35
MEN1 O00255 2/20 0.34
KDM4E B2RXH2 1/20 0.34
RECQL P46063 1/20 0.34
PPARA Q07869 1/20 0.34
THRA P10827 1/20 0.33
THRB P10828 1/20 0.33
ALDH1A1 P00352 1/20 0.33
MAPK1 P28482 1/20 0.33
TDP1 Q9NUW8 1/20 0.33
AKR1C3 P42330 1/20 0.33
AKR1C2 P52895 1/20 0.33

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
SCHEMBL9315320 1.00 ALOX15 (0.41) ALOX15TOP2APOLMPOLKPOLL
SCHEMBL9314331 1.00 ALOX15 (0.41) ALOX15TOP2APOLMPOLKPOLL
SCHEMBL9315270 0.94 POLM (0.43) ALOX15TOP2APOLMPOLKPOLL
SCHEMBL9316283 0.91 ALOX15 (0.39) ALOX15
SCHEMBL5915964 0.83 THRA (0.35) KMT2AMEN1THRATHRBALDH1A1
SCHEMBL9315766 0.82 NCEH1 (0.43)
SCHEMBL10385987 0.79 L3MBTL1 (0.35) SMN1; SMN2THRATHRBTDP1
SCHEMBL482917 0.79 EP300 (0.41) KMT2ASMN1; SMN2ALDH1A1TDP1
SCHEMBL9314372 0.78 KMT2A (0.30) KMT2A
SCHEMBL9315260 0.77 THRA (0.32) PPARGPPARATHRATHRB

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