SCHEMBL9817360

SCHEMBL9817360

CCCCCCCOc1ccc(CCc2ccc(-c3ncc(CCCCCCC)cn3)cc2)cc1F

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 4/20 0.54
RAB9A P51151 3/20 0.54
SMN1; SMN2 Q16637 3/20 0.54
MEN1 O00255 3/20 0.54
KMT2A Q03164 3/20 0.54
KDM4E B2RXH2 1/20 0.54
USP2 O75604 1/20 0.54
ALDH1A1 P00352 1/20 0.54
GAA P10253 1/20 0.54
HPGD P15428 1/20 0.54
HSD17B10 Q99714 1/20 0.54
RARB P10826 4/20 0.51
S1PR1 P21453 3/20 0.47
S1PR3 Q99500 2/20 0.47
S1PR2 O95136 1/20 0.47
LPAR2 Q9HBW0 1/20 0.47
THRA P10827 1/20 0.42
THRB P10828 1/20 0.42
RARA P10276 1/20 0.42
RARG P13631 1/20 0.42

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
SCHEMBL10557115 0.90 RARB (0.52) MAPTRAB9ASMN1; SMN2MEN1KMT2A
SCHEMBL10555207 0.90 RARB (0.52) MAPTRAB9ASMN1; SMN2MEN1KMT2A
SCHEMBL9399114 0.90 RARB (0.52) MAPTRAB9ASMN1; SMN2MEN1KMT2A
SCHEMBL10558978 0.90 RARB (0.52) MAPTRAB9ASMN1; SMN2MEN1KMT2A
SCHEMBL10560121 0.90 RARB (0.52) MAPTRAB9ASMN1; SMN2MEN1KMT2A
SCHEMBL10558236 0.90 RARB (0.52) MAPTRAB9ASMN1; SMN2MEN1KMT2A
SCHEMBL10560165 0.90 RARB (0.52) MAPTRAB9ASMN1; SMN2MEN1KMT2A
SCHEMBL10554428 0.90 RARB (0.52) MAPTRAB9ASMN1; SMN2MEN1KMT2A
SCHEMBL10555705 0.90 RARB (0.52) MAPTRAB9ASMN1; SMN2MEN1KMT2A
SCHEMBL10554229 0.90 RARB (0.52) MAPTRAB9ASMN1; SMN2MEN1KMT2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-5055221-A Rapidly switching ferroelectric display element MERCK PATENT GESELLSCHAFT MIT BESCHRANKTER HAFTUNG (DE) 1991-10-08 US disclosed
EP-0227717-B1 NITROGEN-CONTAINING HETEROCYCLIC ESTERS MERCK PATENT GmbH (DE) 1990-04-25 EP disclosed
EP-0224579-B1 SMECTIC LIQUID CRYSTALLINE PHASES MERCK PATENT GmbH (DE) 1990-01-24 EP disclosed
US-4820839-A LIQUID CRYSTALS MERCK PATENT GESELLSCHAFT MIT BESCHRANKTER HAFTUNG (DE) 1989-04-11 US disclosed
EP-0227717-A1 NITROGEN-CONTAINING HETEROCYCLIC ESTERS. MERCK PATENT GMBH (DE) 1987-07-08 EP disclosed
EP-0224579-A1 SMECTIC LIQUID CRYSTALLINE PHASES. MERCK PATENT GMBH (DE) 1987-06-10 EP disclosed
WO-1986007055-A1 NITROGEN-CONTAINING HETEROCYCLIC ESTERS MERCK Patent Gesellschaft mit beschränkter Haftung (DE) 1986-12-04 WO disclosed
WO-1986007085-A1 SMECTIC LIQUID CRYSTALLINE PHASES MERCK Patent Gesellschaft mit beschränkter Haftung (DE) 1986-12-04 WO disclosed