Sugi Predict

Sugi Predict / Compounds / SCHEMBL9315260

SCHEMBL9315260

SCHEMBL9315260

CCCCCCCC/C=C\CCCCCCCCOc1ccc(F)c([Ti](C2=CC=CC2)(C2=CC=CC2)c2c(F)ccc(OCCCCCCCC/C=C\CCCCCCCC)c2F)c1F

nearest known ligand 0.35

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
▸ THRA P10827 1/20 0.32
▸ THRB P10828 1/20 0.32
▸ PPARG P37231 3/20 0.31
▸ L3MBTL1 Q9Y468 1/20 0.31
▸ LPAR1 Q92633 1/20 0.30
▸ LPAR2 Q9HBW0 1/20 0.30
▸ LPAR3 Q9UBY5 1/20 0.30
▸ LTA4H P09960 1/20 0.30
▸ PPARA Q07869 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
SCHEMBL9315273 1.00 THRA (0.32) THRATHRBPPARGL3MBTL1LPAR1
SCHEMBL5915964 0.93 THRA (0.35) THRATHRBL3MBTL1LPAR2
SCHEMBL10385987 0.90 L3MBTL1 (0.35) THRATHRBL3MBTL1
SCHEMBL9315270 0.85 POLM (0.43) PPARGLPAR1
SCHEMBL10388379 0.84 RARB (0.34) L3MBTL1
SCHEMBL5915967 0.81 L3MBTL1 (0.34) L3MBTL1
SCHEMBL9314331 0.77 ALOX15 (0.41) THRATHRBPPARGPPARA
SCHEMBL9315698 0.77 ALOX15 (0.41) THRATHRBPPARGPPARA
SCHEMBL5915864 0.74 NR5A1 (0.30) THRATHRB
SCHEMBL5915904 0.74 NR5A1 (0.30) THRATHRB

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