SCHEMBL7927311

SCHEMBL7927311

CC1=C(C)C(C)(C)C([Ti](C)(OC(=O)c2ccc(F)cc2)OC(=O)c2ccc(F)cc2)=C1C

nearest known ligand 0.37

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 2/20 0.37
CYP1A2 P05177 1/20 0.37
RAB9A P51151 6/20 0.36
KMT2A Q03164 5/20 0.36
NPC1 O15118 5/20 0.36
MEN1 O00255 3/20 0.36
MAPT P10636 2/20 0.36
HTT P42858 2/20 0.36
MAPK1 P28482 2/20 0.36
CASP3 P42574 1/20 0.36
TRPV1 Q8NER1 1/20 0.36
SENP7 Q9BQF6 1/20 0.36
ATM Q13315 1/20 0.35
POLB P06746 1/20 0.34
PKM P14618 2/20 0.33
CES2 O00748 1/20 0.33
CES1 P23141 1/20 0.33
KDM4E B2RXH2 1/20 0.33
ALDH1A1 P00352 1/20 0.33
ADRB2 P07550 2/20 0.32

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
SCHEMBL7925812 0.92 SMN1; SMN2 (0.37) SMN1; SMN2CYP1A2RAB9AKMT2ANPC1
SCHEMBL7924597 0.89 SMN1; SMN2 (0.38) SMN1; SMN2CYP1A2RAB9AKMT2ANPC1
SCHEMBL7925507 0.87 SMN1; SMN2 (0.38) SMN1; SMN2CYP1A2RAB9AKMT2ANPC1
SCHEMBL7919505 0.86 TSHR (0.40) RAB9AKMT2ANPC1MEN1MAPT
SCHEMBL7930330 0.77 TSHR (0.40) RAB9AKMT2ANPC1MEN1MAPT
SCHEMBL7925424 0.74 TSHR (0.42) RAB9AKMT2ANPC1MEN1MAPT
SCHEMBL7928258 0.71 CDC25B (0.41) SMN1; SMN2RAB9AKMT2ANPC1MEN1
SCHEMBL7930813 0.70
SCHEMBL7927119 0.70 ALDH1A1 (0.32) ALDH1A1
Hydrochloric Acid SCHEMBL7925439 0.69 SMN1; SMN2 (0.37) SMN1; SMN2CYP1A2RAB9AKMT2ANPC1

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