SCHEMBL28040046

SCHEMBL28040046

CC(CC(C)Nc1ccc(C(F)(F)F)cc1)Nc1ccc(C(F)(F)F)cc1

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ ALDH1A1 P00352 3/20 0.50
▸ CA1 P00915 3/20 0.49
▸ CA12 O43570 1/20 0.49
▸ MMP2 P08253 1/20 0.49
▸ CYP3A4 P08684 2/20 0.48
▸ ALOX15 P16050 2/20 0.48
▸ TSHR P16473 2/20 0.48
▸ HIF1A Q16665 2/20 0.48
▸ HSD17B10 Q99714 2/20 0.48
▸ TP53 P04637 1/20 0.48
▸ HSP90AA1 P07900 1/20 0.48
▸ THRB P10828 1/20 0.48
▸ CASP1 P29466 1/20 0.48
▸ SMN1; SMN2 Q16637 1/20 0.48
▸ TDP1 Q9NUW8 1/20 0.48
▸ L3MBTL1 Q9Y468 1/20 0.48
▸ KIF11 P52732 3/20 0.47
▸ ALOX12 P18054 1/20 0.46
▸ MAPK1 P28482 1/20 0.46
▸ KCNH3 Q9ULD8 1/20 0.43

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
SCHEMBL8170851 0.92 ALDH1A1 (0.60) ALDH1A1CA1CA12MMP2CYP3A4
SCHEMBL5570159 0.81 KCNH3 (0.54) ALDH1A1CA1CA12MMP2CYP3A4
SCHEMBL5694571 0.80 CA1 (0.46) ALDH1A1CA1CA12MMP2CYP3A4
Hydrochloric Acid SCHEMBL15364177 0.79 KCNH3 (0.57) ALDH1A1CA1CA12MMP2CYP3A4
SCHEMBL30857793 0.79 HDAC1 (0.48) ALDH1A1CA1CA12MMP2CYP3A4
SCHEMBL13478809 0.79 CA12 (0.49) ALDH1A1CA1CA12MMP2L3MBTL1
SCHEMBL8996174 0.78 KIF11 (0.47) ALDH1A1CA1CA12MMP2KIF11
SCHEMBL8996223 0.78 KIF11 (0.47) ALDH1A1CA1CA12MMP2KIF11
SCHEMBL21688230 0.78 CA1 (0.50) ALDH1A1CA1CA12MMP2KIF11
SCHEMBL7652113 0.78 CA1 (0.50) ALDH1A1CA1CA12MMP2KIF11

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 6 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-105085731-A Olefin polymerization catalyst component preparation method and corresponding catalyst CHINA PETROLEUM & CHEMICAL 2015-11-25 — — CN claimed
CN-105085727-A Catalyst component for olefin polymerization, and catalyst thereof CHINA PETROLEUM & CHEMICAL 2015-11-25 — — CN claimed
CN-105085733-A Olefin polymerization catalyst component preparation method and corresponding catalyst CHINA PETROLEUM & CHEMICAL 2015-11-25 — — CN claimed
CN-105085727-A Catalyst component for olefin polymerization, and catalyst thereof CHINA PETROLEUM & CHEMICAL 2015-11-25 — — CN disclosed
CN-105085731-A Olefin polymerization catalyst component preparation method and corresponding catalyst CHINA PETROLEUM & CHEMICAL 2015-11-25 — — CN disclosed
CN-105085733-A Olefin polymerization catalyst component preparation method and corresponding catalyst CHINA PETROLEUM & CHEMICAL 2015-11-25 — — CN disclosed
Send feedback