SCHEMBL9757982

SCHEMBL9757982

CCCCOC(=O)C1(C)CCC(C2CCC(CCCC)CC2)CC1

nearest known ligand 0.37

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
MAPT P10636 2/20 0.37
POLB P06746 1/20 0.35
HPGD P15428 1/20 0.35
ALDH1A1 P00352 1/20 0.35
CYP1A2 P05177 1/20 0.35
LMNA P02545 1/20 0.34
MAPK1 P28482 1/20 0.34
HTT P42858 1/20 0.34
GAA P10253 1/20 0.34
NAAA Q02083 3/20 0.33
SMN1; SMN2 Q16637 1/20 0.33
ATM Q13315 1/20 0.33
TSHR P16473 1/20 0.33
TDP1 Q9NUW8 1/20 0.33
L3MBTL1 Q9Y468 1/20 0.33
PKM P14618 1/20 0.32

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
SCHEMBL9759148 0.96 MAPT (0.36) MAPTPOLBHPGDCYP1A2LMNA
SCHEMBL9757935 0.96 PKM (0.36) MAPTPOLBHPGDALDH1A1CYP1A2
SCHEMBL9757950 0.96 MAPT (0.38) MAPTPOLBHPGDCYP1A2LMNA
SCHEMBL9759139 0.95 NAAA (0.37) MAPTALDH1A1LMNAMAPK1HTT
SCHEMBL9759088 0.95 NAAA (0.37) MAPTALDH1A1LMNAMAPK1HTT
SCHEMBL9758502 0.94 ALDH1A1 (0.35) MAPTHPGDALDH1A1LMNAHTT
SCHEMBL9758550 0.93 NAAA (0.37) MAPTCYP1A2MAPK1HTTNAAA
SCHEMBL9758891 0.93 PKM (0.36) MAPTPOLBHPGDCYP1A2LMNA
SCHEMBL9759387 0.92 NAAA (0.38) ALDH1A1LMNAHTTNAAATSHR
SCHEMBL9759152 0.92 NAAA (0.38) ALDH1A1LMNAHTTNAAATSHR

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-4985583-A Liquid Crystals MERCK PATENT GESELLSCHAFT MIT BESCHRANKTER HAFTUNG (DE) 1991-01-15 US disclosed