SCHEMBL24616539

SCHEMBL24616539

C1=CCC(Nc2cccc3ccccc23)CC1

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ROCK2 O75116 3/20 0.42
ROCK1 Q13464 3/20 0.42
KDM4E B2RXH2 9/20 0.41
ALDH1A1 P00352 6/20 0.41
SMN1; SMN2 Q16637 2/20 0.41
EPHX1 P07099 1/20 0.41
MEN1 O00255 1/20 0.41
RAB9A P51151 1/20 0.41
KMT2A Q03164 1/20 0.41
HPGD P15428 4/20 0.40
HSD17B10 Q99714 3/20 0.40
TP53 P04637 1/20 0.40
CYP3A4 P08684 1/20 0.40
ALOX15 P16050 1/20 0.40
TSHR P16473 1/20 0.40
CDC25B P30305 1/20 0.40
ATM Q13315 1/20 0.40
MAPT P10636 2/20 0.39
DPP4 P27487 1/20 0.39
DPP8 Q6V1X1 1/20 0.39

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
SCHEMBL29447185 0.81 ROCK2 (0.58) ROCK2ROCK1KDM4EALDH1A1SMN1; SMN2
SCHEMBL9008311 0.81 ROCK2 (0.58) ROCK2ROCK1KDM4EALDH1A1SMN1; SMN2
SCHEMBL11077693 0.78 KDM4E (0.58) ROCK2ROCK1KDM4EALDH1A1SMN1; SMN2
SCHEMBL2468694 0.76 KDM4E (0.60) ROCK2ROCK1KDM4EALDH1A1SMN1; SMN2
SCHEMBL20339234 0.73 ROCK2 (0.51) ROCK2ROCK1KDM4EALDH1A1SMN1; SMN2
SCHEMBL29448240 0.73 ROCK2 (0.51) ROCK2ROCK1KDM4EALDH1A1SMN1; SMN2
SCHEMBL25042152 0.73 ROCK2 (0.51) ROCK2ROCK1KDM4EALDH1A1SMN1; SMN2
SCHEMBL17710614 0.73 FLT3 (0.52) ROCK2ROCK1KDM4EALDH1A1SMN1; SMN2
SCHEMBL7324752 0.73 HTR6 (0.55) ROCK2ROCK1KDM4EALDH1A1SMN1; SMN2
SCHEMBL30638321 0.73 FLT3 (0.52) ROCK2ROCK1KDM4EALDH1A1SMN1; SMN2

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-20220220408-A1 LUBRICANT THICKENER SYSTEMS FROM MODIFIED TALL OIL FATTY ACIDS, LUBRICATING COMPOSITIONS, AND ASSOCIATED METHODS MAINSTREAM PINE PRODUCTS, LLC 2022-07-14 US disclosed