SCHEMBL9817600

SCHEMBL9817600

CCCCCCCCCc1ccnc(-c2ccc(OCc3ccc(CCCCC)cc3)cc2)n1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HRH3 Q9Y5N1 2/20 0.47
MAPT P10636 2/20 0.47
RAB9A P51151 2/20 0.47
MEN1 O00255 2/20 0.47
USP2 O75604 2/20 0.47
ALDH1A1 P00352 2/20 0.47
KMT2A Q03164 2/20 0.47
SMN1; SMN2 Q16637 2/20 0.47
HSD17B10 Q99714 2/20 0.47
KDM4E B2RXH2 1/20 0.47
GAA P10253 1/20 0.47
HPGD P15428 1/20 0.47
L3MBTL1 Q9Y468 1/20 0.44
SMPD1 P17405 1/20 0.43
LMNA P02545 1/20 0.42
CYP3A4 P08684 1/20 0.42
MAPK1 P28482 1/20 0.42
CASP1 P29466 1/20 0.42
SLCO1B3 Q9NPD5 1/20 0.42
SLCO1B1 Q9Y6L6 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
SCHEMBL9817441 1.00 HRH3 (0.47) HRH3MAPTRAB9AMEN1USP2
SCHEMBL9817525 1.00 HRH3 (0.47) HRH3MAPTRAB9AMEN1USP2
SCHEMBL10356524 0.86 RARB (0.49) MAPTRAB9AMEN1ALDH1A1KMT2A
SCHEMBL10356460 0.86 RARB (0.49) MAPTRAB9AMEN1ALDH1A1KMT2A
SCHEMBL10356522 0.86 RARB (0.49) MAPTRAB9AMEN1ALDH1A1KMT2A
SCHEMBL10356451 0.86 RARB (0.49) MAPTRAB9AMEN1ALDH1A1KMT2A
SCHEMBL10340532 0.82 MEN1 (0.46) MAPTRAB9AMEN1USP2ALDH1A1
SCHEMBL10340464 0.82 MEN1 (0.46) MAPTRAB9AMEN1USP2ALDH1A1
SCHEMBL10339674 0.81 HRH3 (0.61) HRH3MAPTRAB9AMEN1USP2
SCHEMBL10690195 0.81 RAB9A (0.63) HRH3MAPTRAB9AMEN1USP2

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