SCHEMBL3811684

SCHEMBL3811684

CC1=C(C)C(C)(C)C([Ti](Cl)(Cl)Oc2ccccc2-c2ccccc2C(F)(F)F)=C1C

nearest known ligand 0.36

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
HSD11B1 P28845 10/20 0.36
S1PR1 P21453 1/20 0.32
TRPA1 O75762 3/20 0.31
TRPM8 Q7Z2W7 2/20 0.31
TRPV1 Q8NER1 1/20 0.31
AKR1C3 P42330 1/20 0.31
AKR1C2 P52895 1/20 0.31
ALDH1A1 P00352 1/20 0.30
CYP1A2 P05177 1/20 0.30
CYP3A4 P08684 1/20 0.30
CYP2D6 P10635 1/20 0.30
TSHR P16473 1/20 0.30
CYP2C19 P33261 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
SCHEMBL3811681 0.83 BACE1 (0.35) TRPV1AKR1C3AKR1C2
SCHEMBL3676430 0.81 L3MBTL1 (0.35) ALDH1A1
SCHEMBL3769171 0.76 GRM4 (0.37) ALDH1A1CYP1A2
SCHEMBL3811401 0.75 CCNE2 (0.32)
SCHEMBL626368 0.73 PDK2 (0.38)
Hydrochloric Acid SCHEMBL3623901 0.72 HSD11B1 (0.37) HSD11B1S1PR1TRPA1TRPM8TRPV1
SCHEMBL3267492 0.71 NLRP3 (0.30)
SCHEMBL3683551 0.70 NPC1 (0.31) ALDH1A1
SCHEMBL3611287 0.67 HTR7 (0.35) ALDH1A1
SCHEMBL3681805 0.66 NUDT1 (0.32)

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-7589042-B2 Arylphenoxy catalyst system for producing ethylene homopolymer or copolymers of ethylene and α-olefins SK CORPORATION (KR) 2009-09-15 US disclosed
US-20070135297-A1 ARYLPHENOXY CATALYST SYSTEM FOR PRODUCING ETHYLENE HOMOPOLYMER OR COPOLYMERS OF ETHYLENE AND a-OLEFINS SK CORPORATION (KR) 2007-06-14 US disclosed