SCHEMBL7919140

SCHEMBL7919140

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

nearest known ligand 0.34

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 1/20 0.32
LMNA P02545 1/20 0.32
KMT2A Q03164 1/20 0.32
HTR2A P28223 2/20 0.32
HDAC4 P56524 1/20 0.32
HDAC7 Q8WUI4 1/20 0.32
HDAC5 Q9UQL6 1/20 0.32
THRB P10828 1/20 0.31
POLB P06746 1/20 0.31

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
SCHEMBL7919279 0.93 ALDH1A1 (0.34) ALDH1A1LMNAKMT2ATHRBPOLB
SCHEMBL7928647 0.83 POLB (0.42) ALDH1A1HTR2AHDAC4HDAC7HDAC5
SCHEMBL7919471 0.81 POLB (0.35) KMT2AHTR2AHDAC4HDAC7HDAC5
SCHEMBL7928728 0.81 POLB (0.33) THRBPOLB
SCHEMBL7924812 0.81 HTR2A (0.35) ALDH1A1LMNAKMT2AHTR2AHDAC4
SCHEMBL7924685 0.81 SRD5A2 (0.35) LMNAKMT2AHTR2AHDAC4HDAC7
SCHEMBL7928527 0.80 HTR2A (0.37) ALDH1A1HTR2AHDAC4HDAC7HDAC5
SCHEMBL7919398 0.80 HTR2A (0.32) HTR2AHDAC4HDAC7HDAC5POLB
SCHEMBL7928440 0.79 ALDH1A1 (0.40) ALDH1A1LMNAHTR2APOLB
SCHEMBL7925772 0.78 KCNN4 (0.36) KMT2AHTR2AHDAC4HDAC7HDAC5

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