SCHEMBL7925501

SCHEMBL7925501

O=C(O[Ti](OC(=O)c1ccc(F)cc1)(C1C=Cc2ccccc21)C1C=Cc2ccccc21)c1ccc(F)cc1

nearest known ligand 0.37

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 4/20 0.37
RAB9A P51151 4/20 0.37
PKM P14618 1/20 0.37
KMT2A Q03164 4/20 0.36
MEN1 O00255 2/20 0.36
CYP1A2 P05177 2/20 0.35
CYP2D6 P10635 1/20 0.35
TSHR P16473 1/20 0.35
CYP2C19 P33261 1/20 0.35
OPRM1 P35372 1/20 0.34
OPRD1 P41143 1/20 0.34
OPRK1 P41145 1/20 0.34
POLB P06746 3/20 0.33
SMN1; SMN2 Q16637 2/20 0.33
PLA2G7 Q13093 1/20 0.33
MAPT P10636 3/20 0.33
HTT P42858 2/20 0.33
MAPK1 P28482 1/20 0.33
CES2 O00748 1/20 0.33
CES1 P23141 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
SCHEMBL7927791 0.89 NPC1 (0.37) NPC1RAB9APKMKMT2AMEN1
SCHEMBL7927363 0.89 LMNA (0.39) NPC1RAB9AKMT2AMEN1TSHR
SCHEMBL7927122 0.78 POLB (0.42) KMT2AMEN1CYP2D6POLBSMN1; SMN2
SCHEMBL7928436 0.77 LMNA (0.39) KMT2AMEN1TSHRCYP2C19POLB
SCHEMBL7928630 0.74 NPC1 (0.40) NPC1RAB9APKMKMT2AMEN1
SCHEMBL7925046 0.74 KMT2A (0.41) NPC1RAB9AKMT2AMEN1CYP1A2
SCHEMBL7931030 0.73 RET (0.37) CYP1A2POLBSMN1; SMN2LMNA
SCHEMBL7924994 0.73 THRB (0.32)
SCHEMBL7927802 0.73 ELANE (0.33) POLBMAPTLMNA
SCHEMBL7931102 0.73 ATM (0.31) ATM

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