SCHEMBL11522181

SCHEMBL11522181

Clc1ccc(-c2cc(-c3ccccc3)c(-c3ccccc3)s2)cc1Cl

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HSD17B1 P14061 2/20 0.55
ESR1 P03372 3/20 0.50
ESR2 Q92731 2/20 0.50
HSD17B2 P37059 1/20 0.46
MAPT P10636 2/20 0.44
SNCA P37840 1/20 0.44
AHR P35869 5/20 0.42
PTP4A3 O75365 2/20 0.40
ADORA1 P30542 1/20 0.39
EIF4E P06730 1/20 0.39
CYP2A6 P11509 1/20 0.38
PTP4A2 Q12974 1/20 0.38
PTP4A1 Q93096 1/20 0.38
CYP1B1 Q16678 1/20 0.37
PTGER1 P34995 1/20 0.37
PTGER3 P43115 1/20 0.37
PTGER2 P43116 1/20 0.37
KDM4E B2RXH2 1/20 0.37
LMNA P02545 1/20 0.37
RAB9A P51151 1/20 0.37

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
SCHEMBL11525349 0.83 HSD17B1 (0.58) HSD17B1ESR1ESR2HSD17B2MAPT
SCHEMBL119652 0.83 HSD17B1 (0.58) HSD17B1ESR1ESR2HSD17B2MAPT
SCHEMBL11521978 0.83 HSD17B1 (0.58) HSD17B1ESR1ESR2HSD17B2MAPT
SCHEMBL11520044 0.82 HSD17B1 (0.66) HSD17B1ESR1ESR2HSD17B2MAPT
SCHEMBL9755135 0.82 HSD17B1 (0.70) HSD17B1ESR1ESR2HSD17B2MAPT
Hydrogen Sulfide SCHEMBL3010970 0.81 HSD17B1 (0.57) HSD17B1ESR1ESR2HSD17B2MAPT
SCHEMBL11520873 0.79 ESR1 (0.60) HSD17B1ESR1ESR2HSD17B2PTP4A3
SCHEMBL11520573 0.79 HSD17B1 (0.54) HSD17B1ESR1ESR2HSD17B2MAPT
SCHEMBL11520083 0.79 ESR1 (0.56) HSD17B1ESR1ESR2HSD17B2MAPT
SCHEMBL11524663 0.77 HSD17B1 (0.55) HSD17B1ESR1ESR2HSD17B2MAPT

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
US-4174405-A MITICIDES UNIROYAL, INC. (US) 1979-11-13 US disclosed