SCHEMBL9758891

SCHEMBL9758891

CCCCCC1CCC(C2CCC(C)(C(=O)OCCC)CC2)CC1

nearest known ligand 0.36

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
PKM P14618 1/20 0.36
MAPT P10636 2/20 0.36
HTT P42858 2/20 0.36
MEN1 O00255 1/20 0.36
KMT2A Q03164 1/20 0.36
CYP1A2 P05177 2/20 0.35
CYP2D6 P10635 1/20 0.35
CYP2C9 P11712 1/20 0.35
CYP2C19 P33261 1/20 0.35
POLB P06746 1/20 0.35
HPGD P15428 1/20 0.35
TP53 P04637 1/20 0.34
LMNA P02545 1/20 0.33
MAPK1 P28482 1/20 0.33
GAA P10253 1/20 0.33
NAAA Q02083 3/20 0.33
CCR2 P41597 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
SCHEMBL9757950 0.97 MAPT (0.38) PKMMAPTHTTMEN1KMT2A
SCHEMBL9757935 0.95 PKM (0.36) PKMMAPTHTTMEN1KMT2A
SCHEMBL9758550 0.95 NAAA (0.37) PKMMAPTHTTMEN1KMT2A
SCHEMBL9759148 0.95 MAPT (0.36) PKMMAPTHTTCYP1A2POLB
SCHEMBL9759387 0.93 NAAA (0.38) PKMHTTMEN1KMT2ATP53
SCHEMBL9759088 0.93 NAAA (0.37) MAPTHTTMEN1KMT2ALMNA
SCHEMBL9759139 0.93 NAAA (0.37) MAPTHTTMEN1KMT2ALMNA
SCHEMBL9759152 0.93 NAAA (0.38) PKMHTTMEN1KMT2ATP53
SCHEMBL9757982 0.93 MAPT (0.37) PKMMAPTHTTCYP1A2POLB
SCHEMBL9757828 0.90 TP53 (0.38) PKMMAPTHTTMEN1KMT2A

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