SCHEMBL7924719

SCHEMBL7924719

O=C(O[Ti]1(OC(=O)c2ccc(F)cc2)C2C(=Cc3ccccc32)CC2=Cc3ccccc3C21)c1ccc(F)cc1

nearest known ligand 0.35

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 3/20 0.35
RAB9A P51151 3/20 0.35
PKM P14618 1/20 0.35
ATM Q13315 1/20 0.34
KMT2A Q03164 3/20 0.32
POLB P06746 3/20 0.32
DHODH Q02127 1/20 0.32
MEN1 O00255 1/20 0.32
MAPT P10636 1/20 0.32
CASP3 P42574 1/20 0.32
SENP8 Q96LD8 1/20 0.32
SENP7 Q9BQF6 1/20 0.32
SENP6 Q9GZR1 1/20 0.32
HSD11B1 P28845 1/20 0.32
PTGS1 P23219 1/20 0.32
PTGS2 P35354 1/20 0.32
L3MBTL1 Q9Y468 1/20 0.32
KDM4E B2RXH2 1/20 0.32
HSD17B10 Q99714 1/20 0.32
HTR1A P08908 1/20 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
SCHEMBL7919202 0.93 NPC1 (0.35) NPC1RAB9APKMATMKMT2A
SCHEMBL7927198 0.90 LMNA (0.36) RAB9AKMT2APOLBMEN1MAPT
SCHEMBL7924741 0.82 LMNA (0.36) RAB9AKMT2APOLBMEN1MAPT
SCHEMBL7925894 0.81 RAB9A (0.36) NPC1RAB9APKMATMKMT2A
SCHEMBL7927559 0.79 POLB (0.35) POLBSMN1; SMN2
SCHEMBL7927283 0.76 KMT2A (0.39) NPC1ATMKMT2APOLBMEN1
SCHEMBL7927323 0.75 ALDH1A1 (0.32) SMN1; SMN2BCHE
SCHEMBL7925489 0.75 LMNA (0.33) MAPT
SCHEMBL7930339 0.75
SCHEMBL7930669 0.75 THRB (0.33)

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