SCHEMBL28033288

SCHEMBL28033288

C=CCC(C)(c1ccccc1)c1cccc(C)c1C

nearest known ligand 0.42

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 2/20 0.42
MEN1 O00255 1/20 0.42
SMN1; SMN2 Q16637 1/20 0.42
ALDH1A1 P00352 1/20 0.39
TSHR P16473 1/20 0.39
HTT P42858 1/20 0.37
ATM Q13315 2/20 0.37
MAPT P10636 2/20 0.36
KIF11 P52732 1/20 0.34
GABRA1 P14867 1/20 0.33
GABRB2 P47870 1/20 0.33
MAPK1 P28482 1/20 0.32
TRPA1 O75762 1/20 0.32
CYP3A4 P08684 1/20 0.31
CYP2D6 P10635 1/20 0.31
CYP2C9 P11712 1/20 0.31
CYP2C19 P33261 1/20 0.31
TAAR1 Q96RJ0 1/20 0.31

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
SCHEMBL4396686 0.80 KIF11 (0.37) KMT2AMEN1ATMKIF11GABRA1
SCHEMBL1591769 0.79 ALDH1A1 (0.52) KMT2AMEN1SMN1; SMN2ALDH1A1TSHR
SCHEMBL4386452 0.78 KIF11 (0.35) KMT2AMEN1ATMKIF11GABRA1
SCHEMBL10601006 0.78 SLC6A2 (0.40) KMT2AMEN1ALDH1A1ATMMAPT
SCHEMBL8853833 0.73 TRPA1 (0.39) KMT2AMEN1ALDH1A1TSHRATM
SCHEMBL5598485 0.72 ESR1 (0.44) KMT2AMEN1ALDH1A1TSHRATM
SCHEMBL3740131 0.72 ESR1 (0.42) ALDH1A1TSHRATMKIF11GABRA1
SCHEMBL1618598 0.69 KCNN4 (0.43) KMT2AALDH1A1TSHRATMMAPT
SCHEMBL28289641 0.69 TRPA1 (0.39) KMT2AMEN1ALDH1A1TSHRATM
SCHEMBL4615965 0.69 KCNN4 (0.46) KMT2AMEN1TSHRATMMAPT

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
CN-105051831-B Electrical insulating oil composition 出光兴产株式会社 2017-07-14 CN disclosed
CN-105051831-A Electrical insulating oil composition IDEMITSU KOSAN CO 2015-11-11 CN disclosed