SCHEMBL7919223

SCHEMBL7919223

CC=[Ti](OC(=O)CCC)(OC(=O)CCC)(c1cccc2c1Cc1ccccc1-2)c1cccc2c1Cc1ccccc1-2

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RAB9A P51151 4/20 0.40
NPC1 O15118 3/20 0.40
PNMT P11086 1/20 0.36
HTR2B P41595 2/20 0.36
HTR7 P34969 1/20 0.36
GABRP O00591 1/20 0.33
GABRD O14764 1/20 0.33
GABRA1 P14867 1/20 0.33
GABRB1 P18505 1/20 0.33
GABRG2 P18507 1/20 0.33
GABRB3 P28472 1/20 0.33
GABRA5 P31644 1/20 0.33
GABRA3 P34903 1/20 0.33
GABRA2 P47869 1/20 0.33
GABRB2 P47870 1/20 0.33
GABRA4 P48169 1/20 0.33
GABRE P78334 1/20 0.33
GABRA6 Q16445 1/20 0.33
GABRG1 Q8N1C3 1/20 0.33
GABRG3 Q99928 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
SCHEMBL7927185 0.92 RAB9A (0.41) RAB9ANPC1PNMTHTR2BHTR7
SCHEMBL7925578 0.85 RAB9A (0.47) RAB9ANPC1PNMTHTR2BHTR7
SCHEMBL7928442 0.83 NPC1 (0.42) RAB9ANPC1PNMTHTR2BHTR7
SCHEMBL7928587 0.82 NPC1 (0.41) RAB9ANPC1PNMTHTR2BHTR7
SCHEMBL7919283 0.82 RAB9A (0.41) RAB9ANPC1PNMTHTR2BHTR7
SCHEMBL7925414 0.81 NPC1 (0.40) RAB9ANPC1PNMTHTR2BHTR7
SCHEMBL7927343 0.80 HTR7 (0.38) RAB9ANPC1HTR2BHTR7ALDH1A1
SCHEMBL7925575 0.79 NPC1 (0.39) RAB9ANPC1PNMTHTR2BHTR7
SCHEMBL7924963 0.78 MAPT (0.38) RAB9ANPC1PNMTHTR2BHTR7
SCHEMBL7930632 0.77 NPC1 (0.40) RAB9ANPC1PNMTHTR2BHTR7

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
EP-0867454-B1 POLYMERIZATION CATALYST AND PROCESS FOR PRODUCING POLYMERS IDEMITSU KOSAN CO (JP) 2001-03-21 EP disclosed
US-6075102-A Polymerization catalyst and process for producing polymers IDEMITSU KOSAN CO., LTD. (JP) 2000-06-13 US disclosed
EP-0867454-A1 POLYMERIZATION CATALYST AND PROCESS FOR PRODUCING POLYMERS IDEMITSU KOSAN COMPANY LIMITED (JP) 1998-09-30 EP disclosed