SCHEMBL8925878

SCHEMBL8925878

CC[CH]C(C)Oc1ccc(Cl)cc1Cl

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 2/20 0.51
HPGD P15428 2/20 0.46
CYP1A2 P05177 2/20 0.46
CYP2C9 P11712 2/20 0.46
CYP2C19 P33261 2/20 0.46
GLA P06280 1/20 0.46
CYP3A4 P08684 1/20 0.46
CYP2D6 P10635 1/20 0.46
ALOX12 P18054 1/20 0.46
MAPK1 P28482 2/20 0.46
TDP1 Q9NUW8 1/20 0.43
POLB P06746 1/20 0.43
L3MBTL1 Q9Y468 2/20 0.42
HEXD Q8WVB3 1/20 0.42
KDM4E B2RXH2 2/20 0.42
ALDH1A1 P00352 2/20 0.42
GAA P10253 1/20 0.42
CSNK2A1 P68400 1/20 0.41
PPARA Q07869 1/20 0.41
LMNA P02545 2/20 0.41

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
SCHEMBL9643818 0.79 HPGD (0.51) SMN1; SMN2HPGDCYP1A2CYP2C9CYP2C19
SCHEMBL29863098 0.79 HPGD (0.51) SMN1; SMN2HPGDCYP1A2CYP2C9CYP2C19
SCHEMBL11415604 0.76 MAPK1 (0.58) SMN1; SMN2HPGDCYP1A2CYP2C9CYP2C19
SCHEMBL7172382 0.76 CSNK2A1 (0.59) SMN1; SMN2HPGDCYP1A2CYP2C9CYP2C19
SCHEMBL8923255 0.75 POLB (0.41) CYP1A2CYP2C9CYP2C19POLBL3MBTL1
SCHEMBL11454473 0.75 SMN1; SMN2 (0.52) SMN1; SMN2HPGDCYP1A2CYP2C9CYP2C19
SCHEMBL28271201 0.74 MAPK1 (0.53) SMN1; SMN2HPGDCYP1A2CYP2C9CYP2C19
SCHEMBL11452390 0.73 MAPK1 (0.49) SMN1; SMN2HPGDCYP1A2CYP2C9CYP2C19
SCHEMBL8695918 0.73 MAPK1 (0.51) SMN1; SMN2HPGDCYP1A2CYP2C9CYP2C19
SCHEMBL10359836 0.73 SMN1; SMN2 (0.54) SMN1; SMN2HPGDCYP1A2CYP2C9CYP2C19

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-5677263-A CONTROLLING UNWANTED GRASSES BASF AKTIENGESELLSCHAFT (DE) 1997-10-14 US disclosed