SCHEMBL9810558

SCHEMBL9810558

CCCCCOC(=O)C1CCC(O)(c2ccc(-c3ccc(OCC)cc3)cc2)CC1

nearest known ligand 0.45

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
RARB P10826 4/20 0.43
ALDH1A1 P00352 3/20 0.41
HSP90AA1 P07900 1/20 0.41
KMT2A Q03164 2/20 0.41
MEN1 O00255 1/20 0.41
PKM P14618 1/20 0.41
KCNH2 Q12809 1/20 0.39
LMNA P02545 1/20 0.38
S1PR5 Q9H228 2/20 0.38
DRD2 P14416 1/20 0.38
DRD4 P21917 1/20 0.38
DRD3 P35462 1/20 0.38
L3MBTL1 Q9Y468 1/20 0.38
S1PR1 P21453 1/20 0.38
KDM4E B2RXH2 1/20 0.38
NPC1 O15118 1/20 0.38
TSHR P16473 1/20 0.38
RAB9A P51151 1/20 0.38
HPGD P15428 1/20 0.38

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
SCHEMBL9810537 0.99 RARB (0.44) RARBALDH1A1HSP90AA1KMT2AMEN1
SCHEMBL9810257 0.99 RARB (0.44) RARBALDH1A1HSP90AA1KMT2AMEN1
SCHEMBL9810469 0.99 RARB (0.44) RARBALDH1A1HSP90AA1KMT2AMEN1
SCHEMBL9810496 0.98 KMT2A (0.43) RARBALDH1A1HSP90AA1KMT2AMEN1
SCHEMBL9810378 0.97 KMT2A (0.43) ALDH1A1HSP90AA1KMT2AMEN1PKM
SCHEMBL9810425 0.96 ALDH1A1 (0.45) ALDH1A1HSP90AA1KMT2AMEN1PKM
SCHEMBL9810610 0.96 ALDH1A1 (0.45) ALDH1A1HSP90AA1KMT2AMEN1PKM
SCHEMBL9810363 0.96 ALDH1A1 (0.45) ALDH1A1HSP90AA1KMT2AMEN1PKM
SCHEMBL9810465 0.96 RARB (0.47) RARBALDH1A1HSP90AA1KMT2AMEN1
SCHEMBL9810630 0.96 RARB (0.47) RARBALDH1A1HSP90AA1KMT2AMEN1

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