SCHEMBL7924816

SCHEMBL7924816

C=[Ti](OC(=O)C(C)(C)C)(OC(=O)C(C)(C)C)(c1cccc2c1Cc1ccccc1-2)c1cccc2c1Cc1ccccc1-2

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RAB9A P51151 4/20 0.44
NPC1 O15118 3/20 0.44
HTR2B P41595 3/20 0.39
HTR7 P34969 2/20 0.39
PNMT P11086 1/20 0.36
KDM4E B2RXH2 2/20 0.33
ALDH1A1 P00352 2/20 0.33
MEN1 O00255 2/20 0.33
KMT2A Q03164 2/20 0.33
MAPT P10636 1/20 0.33
SMN1; SMN2 Q16637 1/20 0.33
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

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
SCHEMBL7928345 0.89 NPC1 (0.38) RAB9ANPC1HTR2BHTR7PNMT
SCHEMBL7928653 0.86 RAB9A (0.49) RAB9ANPC1HTR2BHTR7PNMT
SCHEMBL7925774 0.86 NPC1 (0.39) RAB9ANPC1HTR2BHTR7PNMT
SCHEMBL7919474 0.83 RAB9A (0.46) RAB9ANPC1HTR2BHTR7PNMT
SCHEMBL7928532 0.83 RAB9A (0.43) RAB9ANPC1HTR2BHTR7PNMT
SCHEMBL7928442 0.82 NPC1 (0.42) RAB9ANPC1HTR2BHTR7PNMT
SCHEMBL7919142 0.82 RAB9A (0.44) RAB9ANPC1HTR2BHTR7PNMT
SCHEMBL7924688 0.82 NPC1 (0.41) RAB9ANPC1HTR2BHTR7PNMT
SCHEMBL7919401 0.81 RAB9A (0.40) RAB9ANPC1HTR2BHTR7PNMT
SCHEMBL27377171 0.79 PNMT (0.42) RAB9ANPC1HTR2BHTR7PNMT

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