SCHEMBL7930636

SCHEMBL7930636

CC1=C(C)C(C)C2=C1C([Ti](OC(=O)c1ccccc1)(OC(=O)c1ccccc1)OC(=O)c1ccccc1)CCC2

nearest known ligand 0.33

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 5/20 0.33
STAT3 P40763 2/20 0.33
CYP1A2 P05177 2/20 0.33
ALDH1A1 P00352 1/20 0.33
CYP2C9 P11712 1/20 0.33
CYP2C19 P33261 1/20 0.33
APOBEC3A P31941 1/20 0.33
APOBEC3G Q9HC16 1/20 0.33
CHRNA7 P36544 2/20 0.32
CHRNB2 P17787 1/20 0.32
CHRNA5 P30532 1/20 0.32
CHRNA4 P43681 1/20 0.32
MEN1 O00255 2/20 0.32
MCL1 Q07820 1/20 0.32
TSHR P16473 1/20 0.32
SCN1A P35498 2/20 0.32
SCN2A Q99250 2/20 0.32
SCN3A Q9NY46 2/20 0.32
LMNA P02545 1/20 0.32
CYP2D6 P10635 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
SCHEMBL7924567 0.89 KMT2A (0.35) KMT2ACYP1A2ALDH1A1MEN1MAPT
SCHEMBL7925841 0.83 KCNN4 (0.36) ALDH1A1
SCHEMBL7927148 0.81
SCHEMBL7927680 0.79 CHRNA7 (0.32) KMT2ASTAT3CYP1A2ALDH1A1CYP2C9
SCHEMBL7924533 0.78
SCHEMBL7925448 0.77
SCHEMBL7928179 0.77
SCHEMBL7924739 0.76
SCHEMBL7919466 0.72
SCHEMBL7927243 0.71 KMT2A (0.34) KMT2ASTAT3CYP1A2ALDH1A1CYP2C9

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