SCHEMBL9757754

SCHEMBL9757754

CCC[C@H]1CC[C@H](CCC2(C(=O)OCC)CCC(C3CCC(C)CC3)CC2)CC1

nearest known ligand 0.36

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
MAPK1 P28482 1/20 0.36
RECQL P46063 2/20 0.33
ALDH1A1 P00352 2/20 0.33
POLB P06746 4/20 0.33
LMNA P02545 3/20 0.33
MAPT P10636 2/20 0.33
PKM P14618 1/20 0.33
TLR4 O00206 1/20 0.33
KDM4E B2RXH2 1/20 0.32
MEN1 O00255 3/20 0.32
KMT2A Q03164 3/20 0.32
GAA P10253 1/20 0.32
SMN1; SMN2 Q16637 1/20 0.32
NPY1R P25929 1/20 0.31
NPC1 O15118 1/20 0.31
RAB9A P51151 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
SCHEMBL9759092 0.93 TP53 (0.34) MAPK1RECQLALDH1A1POLBLMNA
SCHEMBL9757776 0.91 TLR4 (0.32) MAPK1TLR4
SCHEMBL9757717 0.90 TLR4 (0.32) MAPK1ALDH1A1TLR4
SCHEMBL9758782 0.89 NAAA (0.32) MAPK1TLR4GAASMN1; SMN2
SCHEMBL9758906 0.88 TLR4 (0.36) ALDH1A1LMNAMAPTTLR4KMT2A
SCHEMBL9758283 0.88 NAAA (0.33) MAPK1GAASMN1; SMN2
SCHEMBL9758693 0.84 NAAA (0.36) MAPTPKMMEN1KMT2A
SCHEMBL9759646 0.84 PKM (0.33) MAPK1POLBLMNAMAPTPKM
SCHEMBL9758624 0.84 NAAA (0.34) MAPK1ALDH1A1LMNAMAPTPKM
SCHEMBL9759080 0.83 NAAA (0.37) MAPK1PKMMEN1KMT2AGAA

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