SCHEMBL7927651

SCHEMBL7927651

C[O-].O=C(O[Ti+](OC(=O)c1ccccc1)C1C2=C(CCCC2)C2=C1CCCC2)c1ccccc1

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TSHR P16473 2/20 0.38
SLC6A3 Q01959 2/20 0.36
SLC6A2 P23975 1/20 0.36
SLC6A4 P31645 1/20 0.36
LMNA P02545 3/20 0.36
F2 P00734 1/20 0.36
KMT2A Q03164 3/20 0.34
CHRNA7 P36544 2/20 0.34
MCL1 Q07820 1/20 0.34
MEN1 O00255 1/20 0.34
GAA P10253 1/20 0.34
CHRNB2 P17787 1/20 0.34
CHRNA5 P30532 1/20 0.34
CHRNA4 P43681 1/20 0.34
CYP1A2 P05177 2/20 0.33
ALDH1A1 P00352 2/20 0.33
CYP2D6 P10635 1/20 0.33
MAPT P10636 1/20 0.33
SMN1; SMN2 Q16637 1/20 0.33
HTR3E A5X5Y0 1/20 0.33

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 SCHEMBL7927217 0.94 F2 (0.38) TSHRSLC6A3SLC6A2SLC6A4LMNA
Hydrochloric Acid SCHEMBL7928514 0.81 KDM4E (0.38) LMNAKMT2AMEN1MAPT
SCHEMBL7924500 0.80 CHRNA7 (0.31) TSHRSLC6A3SLC6A2SLC6A4LMNA
SCHEMBL7927655 0.78 KMT2A (0.33) TSHRSLC6A3SLC6A2SLC6A4LMNA
SCHEMBL7927636 0.75 TSHR (0.38) TSHRSLC6A3SLC6A2SLC6A4LMNA
Hydrochloric Acid SCHEMBL7924762 0.74 KCNN4 (0.41) SLC6A3SLC6A2SLC6A4CYP1A2CHRM2
Hydrochloric Acid SCHEMBL7927393 0.74 POLB (0.43) LMNAKMT2AMEN1GAAALDH1A1
SCHEMBL7928219 0.74
Hydrochloric Acid SCHEMBL7927214 0.72 KMT2A (0.34) LMNAF2KMT2ACHRNA7MCL1
SCHEMBL7931155 0.71 POLB (0.33) KMT2AALDH1A1SMN1; SMN2TDP1CHRM2

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