SCHEMBL7928647

SCHEMBL7928647

CC(=O)O[Ti]1(OC(C)=O)C2c3ccccc3-c3cccc(c32)Cc2cccc3c2C1c1ccccc1-3

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
POLB P06746 1/20 0.42
HTR2A P28223 2/20 0.36
MTNR1A P48039 3/20 0.34
MTNR1B P49286 3/20 0.34
HDAC4 P56524 1/20 0.34
HDAC7 Q8WUI4 1/20 0.34
HDAC5 Q9UQL6 1/20 0.34
RAB9A P51151 2/20 0.33
MAOA P21397 2/20 0.33
CYP1A2 P05177 1/20 0.33
ADRA2A P08913 1/20 0.33
SLC6A2 P23975 1/20 0.33
HTR2C P28335 1/20 0.33
SLC6A4 P31645 1/20 0.33
HTR2B P41595 1/20 0.33
NPC1 O15118 1/20 0.33
KDM4E B2RXH2 1/20 0.33
MAPK1 P28482 1/20 0.33
ALDH1A1 P00352 1/20 0.32
NOTUM Q6P988 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
SCHEMBL7925574 0.92 POLB (0.42) POLBHTR2ARAB9ANPC1ALDH1A1
SCHEMBL7919471 0.87 POLB (0.35) POLBHTR2AMTNR1AMTNR1BHDAC4
SCHEMBL7924812 0.87 HTR2A (0.35) POLBHTR2AMTNR1AMTNR1BHDAC4
SCHEMBL7928527 0.86 HTR2A (0.37) POLBHTR2AMTNR1AMTNR1BHDAC4
SCHEMBL7928440 0.85 ALDH1A1 (0.40) POLBHTR2AMTNR1AMTNR1BRAB9A
SCHEMBL7924685 0.84 SRD5A2 (0.35) HTR2AHDAC4HDAC7HDAC5RAB9A
SCHEMBL7919398 0.83 HTR2A (0.32) POLBHTR2AHDAC4HDAC7HDAC5
SCHEMBL7925772 0.81 KCNN4 (0.36) HTR2AMTNR1AMTNR1BHDAC4HDAC7
SCHEMBL7927598 0.81 POLB (0.42) POLBHDAC4HDAC7HDAC5
SCHEMBL7927569 0.80 MAPT (0.40) HTR2ARAB9AHTR2CHTR2BNPC1

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