SCHEMBL7250141

SCHEMBL7250141

Cc1ccc2ccccc2c1CCCS(=O)(=O)O

nearest known ligand 0.49

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
SLC2A1 P11166 6/20 0.49
TSHR P16473 3/20 0.42
CYP1A2 P05177 2/20 0.42
CYP2A6 P11509 1/20 0.42
KDM4E B2RXH2 3/20 0.41
MAPT P10636 1/20 0.41
TDP1 Q9NUW8 1/20 0.41
NCEH1 Q6PIU2 1/20 0.40
KMT2A Q03164 1/20 0.39
HSD17B10 Q99714 2/20 0.39
CYP2C9 P11712 1/20 0.39
CYP2C19 P33261 1/20 0.39
NQO2 P16083 1/20 0.38
ALDH1A1 P00352 2/20 0.37
GLA P06280 1/20 0.37
GAA P10253 1/20 0.37
HPGD P15428 1/20 0.37
RXFP1 Q9HBX9 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
SCHEMBL10423975 0.82 TSHR (0.46) SLC2A1TSHRCYP1A2CYP2A6KDM4E
SCHEMBL6249203 0.79 TSHR (0.58) TSHRCYP1A2CYP2A6KDM4EMAPT
SCHEMBL10907225 0.77 HKDC1 (0.40) SLC2A1TSHRCYP1A2CYP2A6KDM4E
SCHEMBL7260925 0.76 TSHR (0.51) SLC2A1TSHRCYP1A2CYP2A6KDM4E
SCHEMBL7260921 0.76 TSHR (0.50) SLC2A1TSHRCYP1A2CYP2A6KDM4E
SCHEMBL2846325 0.76 NCEH1 (0.52) TSHRCYP1A2CYP2A6KDM4EMAPT
SCHEMBL31359145 0.76 NQO2 (0.51) CYP1A2KDM4ETDP1CYP2C9CYP2C19
SCHEMBL5937268 0.76 NQO2 (0.51) CYP1A2KDM4ETDP1CYP2C9CYP2C19
Ammonia Solution, Strong SCHEMBL28807529 0.75 NCEH1 (0.51) TSHRCYP1A2CYP2A6KDM4EMAPT
SCHEMBL7653479 0.75 TSHR (0.48) SLC2A1TSHRCYP1A2CYP2A6KDM4E

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-6635090-B1 Dyeing method using a specific cationic derivative and a compound selected among a specific aldehyde, a specific ketone, a quinone and a di-imino-isoindoline or 3-amino-isoindolone derivative L'OREAL, S.A. (FR) 2003-10-21 US disclosed
WO-1993010482-A2 PHOTOGRAPHIC EMULSIONS AND MATERIALS WITH REDUCED PRESSURE SENSITIVITY INTERNATIONAL PAPER COMPANY (US) 1993-05-27 WO disclosed