SCHEMBL7919128

SCHEMBL7919128

CC(=O)O[Ti](OC(C)=O)(OC(C)=O)C1C=Cc2ccccc21

nearest known ligand 0.41

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
POLB P06746 2/20 0.41
MEN1 O00255 1/20 0.34
KMT2A Q03164 1/20 0.34
RET P07949 2/20 0.32
SMN1; SMN2 Q16637 2/20 0.31
LMNA P02545 1/20 0.31
BRD4 O60885 1/20 0.31
CCL2 P13500 1/20 0.31
L3MBTL1 Q9Y468 1/20 0.31
HTR6 P50406 1/20 0.30
ALDH1A1 P00352 2/20 0.30
KDM4E B2RXH2 1/20 0.30
TDP1 Q9NUW8 1/20 0.30
ATM Q13315 1/20 0.30
HTR2A P28223 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
SCHEMBL7927122 0.89 POLB (0.42) POLBMEN1KMT2ARETSMN1; SMN2
SCHEMBL7928317 0.85 POLB (0.34) POLBMEN1KMT2A
SCHEMBL7925544 0.83 ELANE (0.33) POLBMEN1KMT2ALMNAALDH1A1
SCHEMBL7925610 0.83 RET (0.37) POLBMEN1KMT2ARETSMN1; SMN2
SCHEMBL7928436 0.81 LMNA (0.39) POLBMEN1KMT2ASMN1; SMN2LMNA
SCHEMBL7927256 0.81 RET (0.36) POLBMEN1KMT2ARETSMN1; SMN2
SCHEMBL7919144 0.80 ATM (0.31) ATM
SCHEMBL7925031 0.80 THRB (0.32) HTR6
SCHEMBL8155332 0.78 POLB (0.37) POLBMEN1KMT2ARETSMN1; SMN2
SCHEMBL7925614 0.78 KCNN4 (0.41) MEN1KMT2AATM

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