SCHEMBL7927680

SCHEMBL7927680

CC1C2=C(CCCC2)C2=C1C([Ti](OC(=O)c1ccccc1)(OC(=O)c1ccccc1)OC(=O)c1ccccc1)CCC2

nearest known ligand 0.32

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CHRNA7 P36544 2/20 0.32
CHRNB2 P17787 1/20 0.32
CHRNA5 P30532 1/20 0.32
CHRNA4 P43681 1/20 0.32
KMT2A Q03164 3/20 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
CYP1A2 P05177 2/20 0.32
LMNA P02545 2/20 0.32
CYP2D6 P10635 1/20 0.32
CHRM2 P08172 1/20 0.32
CHRM4 P08173 1/20 0.32
CHRM1 P11229 1/20 0.32
CHRM3 P20309 1/20 0.32
HTR3E A5X5Y0 1/20 0.32
HTR3B O95264 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
SCHEMBL7927630 0.90 CHRNA7 (0.32) CHRNA7CHRNB2CHRNA5CHRNA4KMT2A
SCHEMBL7927275 0.90 CHRNA7 (0.32) CHRNA7CHRNB2CHRNA5CHRNA4KMT2A
SCHEMBL7925721 0.89 MEN1 (0.35) KMT2AMEN1SLC6A4SLC6A3ALDH1A1
SCHEMBL7925418 0.83 GAA (0.36) KMT2ALMNAALDH1A1
SCHEMBL7919175 0.81
SCHEMBL7930636 0.79 KMT2A (0.33) CHRNA7CHRNB2CHRNA5CHRNA4KMT2A
SCHEMBL7928340 0.79 MEN1 (0.34) KMT2AMEN1ALDH1A1
SCHEMBL7927380 0.79 MEN1 (0.34) KMT2AMEN1ALDH1A1
SCHEMBL7927243 0.79 KMT2A (0.34) CHRNA7CHRNB2CHRNA5CHRNA4KMT2A
SCHEMBL7928158 0.78

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