SCHEMBL9238192

SCHEMBL9238192

CCCCCCOc1cnc(-c2ccc(CC(C)OC(=O)CC)cc2)nc1

nearest known ligand 0.46

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
RARB P10826 4/20 0.46
RAB9A P51151 5/20 0.43
NPC1 O15118 4/20 0.43
KDM4E B2RXH2 3/20 0.43
SMN1; SMN2 Q16637 3/20 0.43
ALDH1A1 P00352 2/20 0.43
TP53 P04637 1/20 0.43
TSHR P16473 1/20 0.43
PLA2G4B P0C869 3/20 0.42
HSD17B10 Q99714 2/20 0.42
MAPT P10636 2/20 0.41
HTT P42858 1/20 0.41
MEN1 O00255 1/20 0.41
USP2 O75604 1/20 0.41
GAA P10253 1/20 0.41
HPGD P15428 1/20 0.41
KMT2A Q03164 1/20 0.41
PLA2G2A P14555 1/20 0.40

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
SCHEMBL9237542 1.00 RARB (0.46) RARBRAB9ANPC1KDM4ESMN1; SMN2
SCHEMBL9235133 1.00 RARB (0.46) RARBRAB9ANPC1KDM4ESMN1; SMN2
SCHEMBL9240993 1.00 RARB (0.46) RARBRAB9ANPC1KDM4ESMN1; SMN2
SCHEMBL9240807 0.99 RARB (0.44) RARBRAB9ANPC1KDM4ESMN1; SMN2
SCHEMBL9236189 0.95 NPC1 (0.47) RARBRAB9ANPC1KDM4ESMN1; SMN2
SCHEMBL9238701 0.92 RARB (0.46) RARBRAB9ANPC1KDM4ESMN1; SMN2
SCHEMBL9239319 0.92 RARB (0.46) RARBRAB9ANPC1KDM4ESMN1; SMN2
SCHEMBL9238713 0.92 RARB (0.46) RARBRAB9ANPC1KDM4ESMN1; SMN2
SCHEMBL9238647 0.92 RARB (0.46) RARBRAB9ANPC1KDM4ESMN1; SMN2
SCHEMBL9238359 0.92 RARB (0.46) RARBRAB9ANPC1KDM4ESMN1; SMN2

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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-5389290-A Ferroelectric liquid crystalline materials MERCK PATENT GESELLSCHAFT MIT BESCHRANKTER HAFTUNG (DE) 1995-02-14 US disclosed
US-5089168-A Stable ferroelectric liquid crystals MERCK PATENT GESELLSCHAFT MIT BESCHRANKTER HAFTUNG (DE) 1992-02-18 US disclosed
US-4834904-A FERROELECTRIC LIQUID CRYSTALS MERCK PATENT GESELLSCHAFT MIT BESCHRANKTER HAFTUNG (DE) 1989-05-30 US disclosed