SCHEMBL8995862

SCHEMBL8995862

O=C1OC(=O)c2c(Cl)c(Cl)c(Cl)c1c2Cl

nearest known ligand 0.82

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TSHR P16473 2/20 0.82
ALDH1A1 P00352 2/20 0.82
UCHL1 P09936 1/20 0.41
UCHL3 P15374 1/20 0.41
ECE1 P42892 1/20 0.41
MUS81 Q96NY9 1/20 0.41
AHR P35869 2/20 0.35
ALOX15 P16050 2/20 0.31
GMNN O75496 1/20 0.31
LMNA P02545 1/20 0.31
TP53 P04637 1/20 0.31
CYP1A2 P05177 1/20 0.31
POLB P06746 1/20 0.31
ELANE P08246 1/20 0.31
CTSG P08311 1/20 0.31
CTSA P10619 1/20 0.31
CYP2D6 P10635 1/20 0.31
MAPT P10636 1/20 0.31
CYP2C9 P11712 1/20 0.31
NFKB1 P19838 1/20 0.31

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
SCHEMBL30354042 0.90 TSHR (1.00) TSHRALDH1A1UCHL1UCHL3ECE1
SCHEMBL21861 0.90 TSHR (1.00) TSHRALDH1A1UCHL1UCHL3ECE1
SCHEMBL13578730 0.81 TSHR (0.72) TSHRALDH1A1UCHL1UCHL3ECE1
SCHEMBL15119611 0.80 TSHR (0.70) TSHRALDH1A1UCHL1UCHL3ECE1
SCHEMBL15119603 0.77 TSHR (0.74) TSHRALDH1A1UCHL1UCHL3ECE1
SCHEMBL8849220 0.76 TSHR (0.71) TSHRALDH1A1UCHL1UCHL3ECE1
SCHEMBL10397261 0.76 TSHR (0.71) TSHRALDH1A1UCHL1UCHL3ECE1
SCHEMBL854899 0.76 TSHR (0.71) TSHRALDH1A1UCHL1UCHL3ECE1
Phthalic Anhydride SCHEMBL9348467 0.75 ALDH1A1 (0.68) TSHRALDH1A1AHRALOX15GMNN
Propylene Oxide SCHEMBL11030778 0.73 TSHR (0.65) TSHRALDH1A1UCHL1UCHL3ECE1

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
JP-8225415-A None JP disclosed
JP-H08225415-A ANTIMICROBIAL LIQUID AGENT FOR CEMENT AND GYPSUM NIPPON MIZUSHIYORI GIKEN:KK 1996-09-03 JP disclosed
CN-1111365-A Photothermographic elements incorporating antihalation dyes MINNESOTA MINING & MFG (US) 1995-11-08 CN disclosed