SCHEMBL7919131

SCHEMBL7919131

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

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TSHR P16473 4/20 0.41
LMNA P02545 2/20 0.39
F2 P00734 1/20 0.39
KMT2A Q03164 5/20 0.36
TDP1 Q9NUW8 3/20 0.36
MAPT P10636 2/20 0.36
SMN1; SMN2 Q16637 2/20 0.36
ALDH1A1 P00352 2/20 0.36
HSD17B10 Q99714 1/20 0.36
SLC6A3 Q01959 2/20 0.36
NPC1 O15118 1/20 0.35
RAB9A P51151 1/20 0.35
TP53 P04637 1/20 0.34
NPSR1 Q6W5P4 1/20 0.34
MAPK1 P28482 1/20 0.33
HIF1A Q16665 1/20 0.33
POLB P06746 1/20 0.33
MEN1 O00255 1/20 0.33
MDM2 Q00987 1/20 0.33
SLC6A2 P23975 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
SCHEMBL7925832 0.80 TSHR (0.34) TSHRLMNAF2KMT2ASLC6A3
SCHEMBL7918724 0.78 KCNN4 (0.45)
SCHEMBL7925424 0.68 TSHR (0.42) TSHRLMNAF2KMT2ATDP1
SCHEMBL7928574 0.68 TSHR (0.42) TSHRLMNAF2KMT2ATDP1
Benzoic Acid SCHEMBL8094668 0.67 CA2 (0.57) TSHRALDH1A1
SCHEMBL7924767 0.67 ALDH1A1 (0.33) TSHRKMT2ATDP1SMN1; SMN2ALDH1A1
SCHEMBL7930342 0.67 TSHR (0.41) TSHRLMNAF2KMT2ATDP1
SCHEMBL7930544 0.66 LMNA (0.61) TSHRLMNAF2KMT2ATDP1
SCHEMBL726457 0.63 LMNA (0.56) TSHRLMNAF2KMT2ATDP1
SCHEMBL7931125 0.62 TSHR (0.43) TSHRLMNAF2KMT2ATDP1

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