SCHEMBL9340281

SCHEMBL9340281

CCCCC[C@H]1CC[C@H](CC[C@H]2CC[C@H](c3ccc(OC(F)(F)C(F)(F)F)cc3)CC2)CC1

nearest known ligand 0.47

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
CYP2C9 P11712 1/20 0.40
MAPT P10636 2/20 0.39
MEN1 O00255 2/20 0.39
KMT2A Q03164 2/20 0.39
ALDH1A1 P00352 1/20 0.39
LMNA P02545 1/20 0.39
MAPK1 P28482 1/20 0.39
SPHK1 Q9NYA1 8/20 0.38
ESR2 Q92731 1/20 0.36
RAB9A P51151 1/20 0.36
GAA P10253 1/20 0.36
DRD2 P14416 1/20 0.35
SPHK2 Q9NRA0 4/20 0.34

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
SCHEMBL10595603 0.99 SPHK1 (0.40) CYP2C9MAPTMEN1KMT2AALDH1A1
SCHEMBL9341027 0.99 SPHK1 (0.40) CYP2C9MAPTMEN1KMT2AALDH1A1
SCHEMBL9341051 0.99 SPHK1 (0.40) CYP2C9MAPTMEN1KMT2AALDH1A1
SCHEMBL9340699 0.96 CYP2C9 (0.41) CYP2C9MAPTMEN1KMT2AALDH1A1
SCHEMBL9336650 0.95 CYP2C9 (0.39) CYP2C9MAPTMEN1KMT2AALDH1A1
SCHEMBL9336630 0.95 CYP2C9 (0.39) CYP2C9MAPTMEN1KMT2AALDH1A1
SCHEMBL9336644 0.95 CYP2C9 (0.39) CYP2C9MAPTMEN1KMT2AALDH1A1
SCHEMBL11277003 0.95 CYP2C9 (0.39) CYP2C9MAPTMEN1KMT2AALDH1A1
SCHEMBL11289729 0.94 SPHK1 (0.39) CYP2C9MAPTMEN1KMT2AALDH1A1
SCHEMBL9336903 0.94 SPHK1 (0.39) CYP2C9MAPTMEN1KMT2AALDH1A1

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
US-5348677-A Electro-optical liquid crystal display element MERCK PATENT GESELLSCHAFT MIT BESCHRANKTER HAFTUNG (DE) 1994-09-20 US disclosed
US-5196140-A ELECTRO-OPTICAL LIQUID CRYSTAL DISPLAY ELEMENT MERCK PATENT GESELLSCHAFT MIT BESCHRANKTER HAFTUNG (DE) 1993-03-23 US disclosed