SCHEMBL7925772

SCHEMBL7925772

O=C(O[Ti]1(OC(=O)C(c2ccccc2)(c2ccccc2)c2ccccc2)C2c3ccccc3-c3cccc(c32)Cc2cccc3c2C1c1ccccc1-3)C(c1ccccc1)(c1ccccc1)c1ccccc1

nearest known ligand 0.36

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
KCNN4 O15554 1/20 0.36
HTR2A P28223 1/20 0.33
HDAC4 P56524 1/20 0.31
HDAC7 Q8WUI4 1/20 0.31
HDAC5 Q9UQL6 1/20 0.31
SRD5A2 P31213 1/20 0.30
MEN1 O00255 1/20 0.30
KMT2A Q03164 1/20 0.30
ATM Q13315 1/20 0.30
MTNR1A P48039 1/20 0.30
MTNR1B P49286 1/20 0.30

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
SCHEMBL7925573 0.93 KCNN4 (0.36) KCNN4SRD5A2MEN1KMT2AATM
SCHEMBL7924812 0.86 HTR2A (0.35) HTR2AHDAC4HDAC7HDAC5SRD5A2
SCHEMBL7927567 0.82 KCNN4 (0.38) KCNN4MEN1KMT2AATM
SCHEMBL7924685 0.81 SRD5A2 (0.35) HTR2AHDAC4HDAC7HDAC5SRD5A2
SCHEMBL7928647 0.81 POLB (0.42) HTR2AHDAC4HDAC7HDAC5MTNR1A
SCHEMBL7925878 0.79 MEN1 (0.35) HTR2AMEN1KMT2A
SCHEMBL7928527 0.78 HTR2A (0.37) HTR2AHDAC4HDAC7HDAC5MTNR1A
SCHEMBL7919140 0.78 ALDH1A1 (0.32) HTR2AHDAC4HDAC7HDAC5KMT2A
SCHEMBL7919398 0.78 HTR2A (0.32) HTR2AHDAC4HDAC7HDAC5
SCHEMBL7928440 0.77 ALDH1A1 (0.40) HTR2AMTNR1AMTNR1B

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