SCHEMBL7930741

SCHEMBL7930741

CC1=C(C)C(C)(C)C([Ti+2]OC(=O)c2ccccc2)=C1C.C[O-].C[O-]

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TSHR P16473 4/20 0.39
KMT2A Q03164 7/20 0.38
NPSR1 Q6W5P4 3/20 0.38
LMNA P02545 2/20 0.37
F2 P00734 1/20 0.37
GAA P10253 1/20 0.35
KDM4E B2RXH2 1/20 0.34
MAPT P10636 3/20 0.34
TDP1 Q9NUW8 2/20 0.34
ALDH1A1 P00352 2/20 0.34
SMN1; SMN2 Q16637 1/20 0.34
HSD17B10 Q99714 1/20 0.34
MAPK1 P28482 2/20 0.33
NPC1 O15118 1/20 0.33
RAB9A P51151 1/20 0.33
MEN1 O00255 1/20 0.33
TP53 P04637 1/20 0.33
MDM2 Q00987 1/20 0.32
HIF1A Q16665 1/20 0.32
POLB P06746 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 SCHEMBL7919599 0.96 TSHR (0.40) TSHRKMT2ANPSR1LMNAF2
SCHEMBL7928523 0.72 ALDH1A1 (0.31) ALDH1A1
Hydrochloric Acid SCHEMBL7925853 0.72
SCHEMBL7931063 0.71 TSHR (0.39) TSHRKMT2ANPSR1LMNAF2
SCHEMBL7927594 0.70 TSHR (0.56) TSHRKMT2ALMNAF2MAPT
SCHEMBL7925137 0.69 TSHR (0.42) TSHRKMT2ANPSR1LMNAF2
SCHEMBL7924660 0.69 TSHR (0.42) TSHRKMT2ANPSR1LMNAF2
SCHEMBL7925424 0.69 TSHR (0.42) TSHRKMT2ANPSR1LMNAF2
Hydrochloric Acid SCHEMBL7930363 0.68 TSHR (0.32) TSHR
SCHEMBL7928291 0.68 TSHR (0.41) TSHRKMT2ANPSR1LMNAF2

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