SCHEMBL7906147

SCHEMBL7906147

CCCCc1ccc(CCC2CCC([C@H]3CC[C@H](CCC)CC3)CC2)cc1

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAOA P21397 1/20 0.43
MAOB P27338 1/20 0.43
HRH3 Q9Y5N1 2/20 0.43
CA2 P00918 2/20 0.41
CA1 P00915 1/20 0.41
SPHK1 Q9NYA1 6/20 0.40
ALDH1A1 P00352 2/20 0.40
HSD17B10 Q99714 2/20 0.40
HPGD P15428 1/20 0.40
SMN1; SMN2 Q16637 1/20 0.39
ESR1 P03372 2/20 0.38
ADRA2A P08913 2/20 0.38
ADORA3 P0DMS8 2/20 0.38
TACR2 P21452 2/20 0.38
SLC6A2 P23975 2/20 0.38
SLC6A4 P31645 2/20 0.38
SLC6A3 Q01959 2/20 0.38
LMNA P02545 2/20 0.38
KDM4E B2RXH2 1/20 0.38
SHBG P04278 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
SCHEMBL8433282 1.00 MAOA (0.43) MAOAMAOBHRH3CA2CA1
SCHEMBL4798987 0.95 SPHK1 (0.45) MAOAMAOBHRH3SPHK1ALDH1A1
SCHEMBL4799001 0.95 SPHK1 (0.45) MAOAMAOBHRH3SPHK1ALDH1A1
SCHEMBL4798978 0.95 SPHK1 (0.45) MAOAMAOBHRH3SPHK1ALDH1A1
SCHEMBL10717129 0.93 SPHK1 (0.48) SPHK1ALDH1A1HSD17B10ESR1ADRA2A
SCHEMBL10715828 0.93 SPHK1 (0.48) SPHK1ALDH1A1HSD17B10ESR1ADRA2A
SCHEMBL10715789 0.93 HRH3 (0.45) MAOAMAOBHRH3CA2CA1
SCHEMBL10724535 0.93 MAOA (0.45) MAOAMAOBHRH3CA2CA1
SCHEMBL10724540 0.93 MAOA (0.45) MAOAMAOBHRH3CA2CA1
SCHEMBL10718208 0.92 MAOA (0.42) MAOAMAOBHRH3CA2CA1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-6210760-B1 SHORT SWITCHING TIMES AND GRADIENTS AND ANGULAR DEPENDENCIES MERCK PATENT GESELLSCHAFT MIT BESCHRANKTER HAFTUNG (DE) 2001-04-03 US disclosed
EP-0394417-B2 SUPERTWIST LIQUID CRYSTAL DISPLAY MERCK PATENT GMBH (DE) 1999-08-04 EP disclosed
US-5387369-A With specified mixture of components; short switching times MERCK PATENT GESELLSCHAFT MIT BESCHRANKTER HAFTUNG (DE) 1995-02-07 US disclosed
EP-0366985-B1 Super twist liquid crystal display MERCK PATENT GMBH (DE) 1994-04-06 EP disclosed
EP-0366985-A1 Super twist liquid crystal display MERCK PATENT GmbH (DE) 1990-05-09 EP disclosed
WO-1990004622-A1 SUPERTWIST LIQUID CRYSTAL DISPLAY MERCK Patent Gesellschaft mit beschränkter Haftung (DE) 1990-05-03 WO disclosed