SCHEMBL9810447

SCHEMBL9810447

CCCCCOc1ccc(-c2ccc(C3(O)CCC(C(=O)OC)CC3)cc2)cc1

nearest known ligand 0.47

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
RARB P10826 4/20 0.47
MEN1 O00255 2/20 0.45
KMT2A Q03164 2/20 0.45
NPC1 O15118 1/20 0.42
RAB9A P51151 1/20 0.42
S1PR5 Q9H228 2/20 0.42
SPHK1 Q9NYA1 1/20 0.42
ALDH1A1 P00352 1/20 0.42
LMNA P02545 1/20 0.42
S1PR1 P21453 1/20 0.41
TP53 P04637 1/20 0.41
TSHR P16473 1/20 0.41
DRD2 P14416 1/20 0.41
DRD4 P21917 1/20 0.41
DRD3 P35462 1/20 0.41

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
SCHEMBL9810375 0.99 RARB (0.49) RARBMEN1KMT2AS1PR5SPHK1
SCHEMBL9810452 0.99 RARB (0.49) RARBMEN1KMT2AS1PR5SPHK1
SCHEMBL9810633 0.99 RARB (0.49) RARBMEN1KMT2AS1PR5SPHK1
SCHEMBL9810346 0.98 MEN1 (0.47) RARBMEN1KMT2ANPC1RAB9A
SCHEMBL9810370 0.96 MEN1 (0.48) MEN1KMT2ANPC1RAB9AS1PR5
SCHEMBL9810343 0.95 MEN1 (0.47) MEN1KMT2AS1PR5SPHK1S1PR1
SCHEMBL9810667 0.95 MEN1 (0.47) MEN1KMT2AS1PR5SPHK1S1PR1
SCHEMBL9810456 0.95 MEN1 (0.47) MEN1KMT2AS1PR5SPHK1S1PR1
SCHEMBL9810313 0.94 MEN1 (0.50) MEN1KMT2ANPC1RAB9AALDH1A1
SCHEMBL9810476 0.93 TSHR (0.47) RARBMEN1KMT2ANPC1RAB9A

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-5068389-A TERTIARY ALCOHOLS MERCK PATENT GESELLSCHAFT MIT BESCHRANKTER HAFTUNG (DE) 1991-11-26 US disclosed