SCHEMBL8724522

SCHEMBL8724522

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

nearest known ligand 0.42

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 6/20 0.42
NPSR1 Q6W5P4 4/20 0.42
TSHR P16473 4/20 0.41
LMNA P02545 2/20 0.39
F2 P00734 1/20 0.39
KDM4E B2RXH2 1/20 0.38
GAA P10253 1/20 0.36
ALDH1A1 P00352 2/20 0.36
TDP1 Q9NUW8 2/20 0.36
HSD17B10 Q99714 1/20 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
MAPT P10636 2/20 0.34
TP53 P04637 1/20 0.34
HIF1A Q16665 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 SCHEMBL7931043 0.98 KMT2A (0.41) KMT2ANPSR1TSHRLMNAF2
Hydrochloric Acid SCHEMBL8762958 0.71 CA4 (0.30)
SCHEMBL7925137 0.71 TSHR (0.42) KMT2ANPSR1TSHRLMNAF2
SCHEMBL7925424 0.71 TSHR (0.42) KMT2ANPSR1TSHRLMNAF2
SCHEMBL7924660 0.71 TSHR (0.42) KMT2ANPSR1TSHRLMNAF2
SCHEMBL7927401 0.70 TSHR (0.41) KMT2ANPSR1TSHRLMNAF2
SCHEMBL7928291 0.70 TSHR (0.41) KMT2ANPSR1TSHRLMNAF2
SCHEMBL7927585 0.70 TSHR (0.41) KMT2ANPSR1TSHRLMNAF2
SCHEMBL7928633 0.70 TSHR (0.38) KMT2ANPSR1TSHRLMNAF2
Hydrochloric Acid SCHEMBL7924559 0.69

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 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0867454-A1 POLYMERIZATION CATALYST AND PROCESS FOR PRODUCING POLYMERS IDEMITSU KOSAN COMPANY LIMITED (JP) 1998-09-30 EP disclosed