SCHEMBL7927639

SCHEMBL7927639

C[O-].C[O-].O=C(O[Ti+2]C1CCCC2=C1CC1=C2CCCC1)c1ccccc1

nearest known ligand 0.34

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LMNA P02545 2/20 0.34
F2 P00734 1/20 0.34
KMT2A Q03164 4/20 0.34
CYP1A2 P05177 2/20 0.34
ALDH1A1 P00352 1/20 0.34
CYP2C9 P11712 1/20 0.34
CYP2C19 P33261 1/20 0.34
STAT3 P40763 1/20 0.34
CHRNA7 P36544 2/20 0.33
CHRNB2 P17787 1/20 0.33
CHRNA5 P30532 1/20 0.33
CHRNA4 P43681 1/20 0.33
MEN1 O00255 2/20 0.33
MCL1 Q07820 1/20 0.33
TSHR P16473 1/20 0.33
CYP2D6 P10635 1/20 0.32
SCN1A P35498 1/20 0.32
SCN2A Q99250 1/20 0.32
SCN3A Q9NY46 1/20 0.32
CHRM2 P08172 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
Hydrochloric Acid SCHEMBL7919305 0.95 LMNA (0.36) LMNAF2KMT2ACYP1A2ALDH1A1
SCHEMBL7924742 0.88 MEN1 (0.37) KMT2ACYP1A2ALDH1A1MEN1SLC6A4
SCHEMBL7919241 0.84 KCNN4 (0.36) ALDH1A1CHRM3
SCHEMBL7925421 0.84 KMT2A (0.36) LMNAKMT2ACYP1A2ALDH1A1CYP2C19
SCHEMBL7919189 0.84
Hydrochloric Acid SCHEMBL7927362 0.83 MEN1 (0.36) KMT2ACYP1A2CYP2C19MEN1CYP2D6
SCHEMBL7930769 0.81
SCHEMBL7928350 0.80 LMNA (0.33) LMNAF2KMT2ACYP1A2ALDH1A1
SCHEMBL7927636 0.80 TSHR (0.38) LMNAF2KMT2ACYP1A2ALDH1A1
SCHEMBL7919256 0.80

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