SCHEMBL7927401

SCHEMBL7927401

CC1=C(C)C(C)(C)C([Ti](OC(=O)c2ccccc2)(OC(=O)c2ccccc2)C2=C(C)C(C)=C(C)C2(C)C)=C1C

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TSHR P16473 4/20 0.41
KMT2A Q03164 7/20 0.39
NPSR1 Q6W5P4 3/20 0.39
LMNA P02545 2/20 0.39
F2 P00734 1/20 0.39
GAA P10253 1/20 0.36
ALDH1A1 P00352 3/20 0.36
TDP1 Q9NUW8 3/20 0.36
KDM4E B2RXH2 1/20 0.36
HSD17B10 Q99714 1/20 0.36
MAPT P10636 3/20 0.36
NPC1 O15118 1/20 0.35
RAB9A P51151 1/20 0.35
MAPK1 P28482 2/20 0.35
MEN1 O00255 1/20 0.35
TP53 P04637 1/20 0.34
HIF1A Q16665 1/20 0.33
POLB P06746 1/20 0.33
SLC6A2 P23975 1/20 0.33
SLC6A3 Q01959 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
SCHEMBL7925424 0.89 TSHR (0.42) TSHRKMT2ANPSR1LMNAF2
SCHEMBL7919505 0.87 TSHR (0.40) TSHRKMT2ANPSR1LMNAF2
SCHEMBL7930330 0.87 TSHR (0.40) TSHRKMT2ANPSR1LMNAF2
SCHEMBL7925507 0.85 SMN1; SMN2 (0.38) KMT2AALDH1A1KDM4EMAPTNPC1
SCHEMBL8154699 0.76 CES2 (0.35) TSHRKMT2ANPSR1LMNAGAA
SCHEMBL7925812 0.72 SMN1; SMN2 (0.37) KMT2AALDH1A1KDM4EMAPTNPC1
SCHEMBL7924660 0.71 TSHR (0.42) TSHRKMT2ANPSR1LMNAF2
SCHEMBL7925137 0.71 TSHR (0.42) TSHRKMT2ANPSR1LMNAF2
SCHEMBL7925018 0.71 KCNN4 (0.46) KMT2ANPSR1MAPT
SCHEMBL7928291 0.70 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