SCHEMBL8040552

SCHEMBL8040552

Cl[Zr](Cl)C1C(c2ccc3ccccc3c2)=Cc2ccccc21

nearest known ligand 0.35

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GSTP1 P09211 1/20 0.35
ESR1 P03372 1/20 0.35
ESR2 Q92731 1/20 0.35
ALOX5 P09917 1/20 0.34
HSD17B1 P14061 1/20 0.33
HSD17B2 P37059 1/20 0.33
SMN1; SMN2 Q16637 5/20 0.33
ALDH1A1 P00352 5/20 0.33
CYP1A2 P05177 5/20 0.33
KDM4E B2RXH2 3/20 0.33
HSD17B10 Q99714 2/20 0.33
NPC1 O15118 2/20 0.33
MAPT P10636 2/20 0.33
RAB9A P51151 2/20 0.33
MEN1 O00255 1/20 0.33
TP53 P04637 1/20 0.33
KMT2A Q03164 1/20 0.33
POLB P06746 1/20 0.33
CYP2C9 P11712 2/20 0.32
HPGD P15428 2/20 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
SCHEMBL4083879 0.80
SCHEMBL8584713 0.77 TACR1 (0.32)
SCHEMBL6287314 0.76 GSTP1 (0.35) GSTP1ESR1ESR2ALOX5HSD17B1
SCHEMBL7194968 0.76 GSTP1 (0.35) GSTP1ESR1ESR2ALOX5HSD17B1
Hydrochloric Acid SCHEMBL8040550 0.75 GSTP1 (0.37) GSTP1ESR1ESR2ALOX5HSD17B1
Hydrochloric Acid SCHEMBL7194963 0.75 GSTP1 (0.37) GSTP1ESR1ESR2ALOX5HSD17B1
Hydrochloric Acid SCHEMBL6287312 0.74 ESR1 (0.36) GSTP1ESR1ESR2ALOX5HSD17B1
SCHEMBL7937856 0.74 CNR1 (0.33)
SCHEMBL7206931 0.72 GSTP1 (0.34) GSTP1ESR1ESR2ALOX5HSD17B1
SCHEMBL7752887 0.68 CHRM2 (0.33) SMN1; SMN2ALDH1A1KDM4EHSD17B10NPC1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-6143842-A CONTINUOUSLY TRANSFERRING POLYOLEFIN, RESIDUAL CATALYST AND UNREACTED MONOMER TO CONDITIONING ZONE OF KNOWN VOLUME AND HEATING; CONTROLLING TRANSFER/REMOVAL OF POLYOLEFIN FROM THE ZONE TO ENABLE MONOMER REMOVAL WITHOUT OVERHEATING POLYOLEFIN HUNTSMAN POLYMERS CORPORATION (US) 2000-11-07 US claimed
US-5594080-A POLYMERIZATION CATALYSIS OF METALLOCENES WITH CYCLOPENTADIENE AND METALS LELAND STANFORD, JR. UNIVERSITY (US) 1997-01-14 US claimed