SCHEMBL7927636

SCHEMBL7927636

C[O-].C[O-].O=C(O[Ti+2]C1C2=C(CCCC2)C2=C1CCCC2)c1ccccc1

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TSHR P16473 4/20 0.38
KMT2A Q03164 3/20 0.36
MAPT P10636 1/20 0.36
SMN1; SMN2 Q16637 1/20 0.36
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
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 1/20 0.33
CYP2D6 P10635 1/20 0.33
HTR3E A5X5Y0 1/20 0.33
HTR3B O95264 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
SCHEMBL7928350 0.81 LMNA (0.33) TSHRKMT2AMAPTSMN1; SMN2SLC6A3
Hydrochloric Acid SCHEMBL7927366 0.81 KDM4E (0.38) KMT2AMAPTLMNAMEN1
SCHEMBL7927639 0.80 LMNA (0.34) TSHRKMT2AMAPTSMN1; SMN2SLC6A3
Hydrochloric Acid SCHEMBL7924563 0.77 LMNA (0.34) TSHRKMT2AMAPTSMN1; SMN2SLC6A3
Hydrochloric Acid SCHEMBL7925463 0.74 KMT2A (0.43) KMT2AMAPTSMN1; SMN2LMNAMEN1
SCHEMBL7924736 0.70 TSHR (0.39) TSHRKMT2AMAPTSMN1; SMN2SLC6A3
SCHEMBL7927345 0.70 TSHR (0.39) TSHRKMT2AMAPTSMN1; SMN2SLC6A3
SCHEMBL7928302 0.70 MEN1 (0.35) KMT2AMAPTSLC6A3SLC6A4MEN1
SCHEMBL7927594 0.69 TSHR (0.56) TSHRKMT2AMAPTSMN1; SMN2SLC6A3
Hydrochloric Acid SCHEMBL7927217 0.69 F2 (0.38) TSHRKMT2AMAPTSMN1; SMN2SLC6A3

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