SCHEMBL9129308

SCHEMBL9129308

BrCCCCc1ccc2ccccc2c1

nearest known ligand 0.58

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
SIGMAR1 Q99720 3/20 0.58
CYP1A2 P05177 2/20 0.56
HDAC1 Q13547 1/20 0.53
HDAC8 Q9BY41 1/20 0.53
CYP2A6 P11509 1/20 0.50
HRH3 Q9Y5N1 1/20 0.47
BCHE P06276 3/20 0.46
MC4R P32245 1/20 0.44
MC5R P33032 1/20 0.44
HCAR2 Q8TDS4 1/20 0.44
HSP90AB1 P08238 1/20 0.44
PDPK1 O15530 1/20 0.44

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
SCHEMBL7621730 0.98 SIGMAR1 (0.56) SIGMAR1CYP1A2HDAC1HDAC8CYP2A6
SCHEMBL8422096 0.98 SIGMAR1 (0.56) SIGMAR1CYP1A2HDAC1HDAC8CYP2A6
SCHEMBL31036062 0.98 SIGMAR1 (0.56) SIGMAR1CYP1A2HDAC1HDAC8CYP2A6
SCHEMBL9588844 0.98 SIGMAR1 (0.56) SIGMAR1CYP1A2HDAC1HDAC8CYP2A6
SCHEMBL80282 0.94 SIGMAR1 (0.59) SIGMAR1CYP1A2HDAC1HDAC8CYP2A6
SCHEMBL30418669 0.89 SIGMAR1 (0.68) SIGMAR1CYP1A2HDAC1HDAC8CYP2A6
SCHEMBL6897512 0.88 SIGMAR1 (0.53) SIGMAR1CYP1A2HDAC1HDAC8CYP2A6
SCHEMBL30418043 0.87 SIGMAR1 (0.66) SIGMAR1CYP1A2HDAC1HDAC8CYP2A6
SCHEMBL30985268 0.85 CYP1A2 (0.56) SIGMAR1CYP1A2HDAC1HDAC8CYP2A6
SCHEMBL314040 0.85 CYP1A2 (0.56) SIGMAR1CYP1A2HDAC1HDAC8CYP2A6

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-5422038-A Ferroelectric liquid crystal material with sufficient spontaneous polarization, high speed response capability, wide temperature range SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 1995-06-06 US disclosed
EP-0416946-B1 Optically active naphthalene derivative, process for preparation thereof, liquid crystal composition containing the same as effective component, and liquid crystal element using the same SUMITOMO CHEMICAL CO (JP) 1994-11-09 EP disclosed
EP-0416946-A2 Optically active naphthalene derivative, process for preparation thereof, liquid crystal composition containing the same as effective component, and liquid crystal element using the same SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 1991-03-13 EP disclosed