SCHEMBL7644298

SCHEMBL7644298

CCCc1cc(-c2cccc3c2Cc2ccccc2-3)cc(CCC)c1O

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PNMT P11086 1/20 0.48
NPC1 O15118 3/20 0.40
RAB9A P51151 3/20 0.40
GABRA1 P14867 4/20 0.36
GABRB2 P47870 4/20 0.36
DRD2 P14416 2/20 0.36
DRD4 P21917 1/20 0.36
DRD3 P35462 1/20 0.36
ALOX5 P09917 1/20 0.35
ELANE P08246 2/20 0.35
HTR7 P34969 2/20 0.35
KDM4E B2RXH2 1/20 0.35
MEN1 O00255 1/20 0.35
ALDH1A1 P00352 1/20 0.35
MAPT P10636 1/20 0.35
KMT2A Q03164 1/20 0.35
SMN1; SMN2 Q16637 1/20 0.35
CTSG P08311 1/20 0.35
HTR2B P41595 1/20 0.35
PGR P06401 1/20 0.33

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
SCHEMBL7646507 0.90 PNMT (0.51) PNMTNPC1RAB9AGABRA1GABRB2
SCHEMBL27737089 0.86 ALOX5 (0.51) PNMTNPC1RAB9AGABRA1GABRB2
SCHEMBL8681747 0.82 PNMT (0.39) PNMTNPC1RAB9AGABRA1GABRB2
SCHEMBL27685457 0.82 PNMT (0.47) PNMTNPC1RAB9AGABRA1GABRB2
SCHEMBL6287294 0.82 PNMT (0.64) PNMTNPC1RAB9ADRD2DRD4
SCHEMBL27704506 0.81 PNMT (0.48) PNMTNPC1RAB9ADRD2DRD4
Fluoride SCHEMBL28207930 0.81 PNMT (0.62) PNMTNPC1RAB9ADRD2DRD4
SCHEMBL21295464 0.79 PNMT (0.43) PNMTNPC1RAB9AGABRA1GABRB2
SCHEMBL27701864 0.78 ALOX5 (0.48) PNMTNPC1RAB9AGABRA1GABRB2
SCHEMBL8681746 0.78 GABRA1 (0.40) PNMTNPC1RAB9AGABRA1GABRB2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-6468589-B2 A HEAT-CURED POLYETHER BASED ON A 9,9-BIS(P-HYDROXYPHENYL)-FLUORENE HAVING AT LEAST ONE ALKYL SUBSTITUENT AND A DIHYDROXY AROMATIC COMONOMER; LOW DIELECTRIC PROTECTIVE COATINGS; HEAT RESISTANCE; NONCRACKING JSR CORPORATION (JP) 2002-10-22 US disclosed
US-20010012870-A1 Composition for film formation and insulating film JSR CORPORATION (JP) 2001-08-09 US disclosed