SCHEMBL22704276

SCHEMBL22704276

ClC(Cl)(Cl)CCC(c1ccccc1)(c1ccccc1)c1ccccc1

nearest known ligand 0.52

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
KIF11 P52732 13/20 0.52
TSHR P16473 2/20 0.48
CYP11B1 P15538 1/20 0.40
CYP11B2 P19099 1/20 0.40
CYP1A2 P05177 1/20 0.39
KCNH2 Q12809 2/20 0.39
CYP3A4 P08684 1/20 0.39
CYP2D6 P10635 1/20 0.39
CYP2C9 P11712 1/20 0.39
CYP2C19 P33261 1/20 0.39
SMN1; SMN2 Q16637 1/20 0.36
KCNN4 O15554 1/20 0.36
ALDH1A1 P00352 1/20 0.36

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
SCHEMBL1149158 0.87 KIF11 (0.64) KIF11TSHRCYP11B1CYP11B2KCNH2
SCHEMBL11814132 0.80 TSHR (0.48) KIF11TSHRCYP1A2CYP2C9CYP2C19
SCHEMBL11602752 0.77 KIF11 (0.54) KIF11TSHRCYP11B1CYP11B2KCNH2
SCHEMBL3146564 0.75 KIF11 (0.52) KIF11CYP11B1CYP11B2CYP1A2KCNH2
SCHEMBL27656873 0.74 KIF11 (0.62) KIF11TSHRCYP11B1CYP11B2KCNH2
SCHEMBL28248374 0.73 KIF11 (0.61) KIF11TSHRCYP11B1CYP11B2KCNH2
SCHEMBL532102 0.72 KIF11 (0.54) KIF11TSHRCYP11B1CYP11B2KCNH2
SCHEMBL10932721 0.72 KIF11 (0.54) KIF11TSHRCYP11B1CYP11B2KCNH2
SCHEMBL7092683 0.72 KIF11 (0.54) KIF11TSHRCYP11B1CYP11B2KCNH2
SCHEMBL10932723 0.72 KIF11 (0.54) KIF11TSHRCYP11B1CYP11B2KCNH2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20200369828-A1 PROCESS FOR PREPARING POLYCARBONTE AND CATALYTIC SYSTEM USED ENI S.P.A. (IT) 2020-11-26 US disclosed