SCHEMBL6909419

SCHEMBL6909419

O=C(O)c1cccc2c(Cl)cccc12.[AlH3]

nearest known ligand 0.61

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TSHR P16473 2/20 0.61
ALDH1A1 P00352 4/20 0.59
NR4A2 P43354 2/20 0.55
NR4A1 P22736 1/20 0.55
NR4A3 Q92570 1/20 0.55
CYP1A2 P05177 2/20 0.54
CYP2A6 P11509 1/20 0.54
KMT2A Q03164 4/20 0.52
KDM4E B2RXH2 3/20 0.52
MEN1 O00255 3/20 0.52
MAPT P10636 2/20 0.52
HPGD P15428 2/20 0.52
HSD17B10 Q99714 2/20 0.52
PKM P14618 1/20 0.52
HTT P42858 1/20 0.52
ATM Q13315 1/20 0.50
PBRM1 Q86U86 2/20 0.47
HAVCR2 Q8TDQ0 1/20 0.47
ALOX15 P16050 1/20 0.46
CES2 O00748 1/20 0.45

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
SCHEMBL6909416 1.00 TSHR (0.61) TSHRALDH1A1NR4A2NR4A1NR4A3
SCHEMBL4098387 0.98 TSHR (0.63) TSHRALDH1A1NR4A2NR4A1NR4A3
SCHEMBL6915042 0.96 TSHR (0.61) TSHRALDH1A1NR4A2NR4A1NR4A3
SCHEMBL6915995 0.96 TSHR (0.61) TSHRALDH1A1NR4A2NR4A1NR4A3
SCHEMBL6915204 0.96 TSHR (0.61) TSHRALDH1A1NR4A2NR4A1NR4A3
SCHEMBL6913041 0.96 TSHR (0.61) TSHRALDH1A1NR4A2NR4A1NR4A3
SCHEMBL6915043 0.96 TSHR (0.61) TSHRALDH1A1NR4A2NR4A1NR4A3
SCHEMBL6915652 0.96 TSHR (0.61) TSHRALDH1A1NR4A2NR4A1NR4A3
SCHEMBL6912784 0.96 TSHR (0.61) TSHRALDH1A1NR4A2NR4A1NR4A3
SCHEMBL6913045 0.96 TSHR (0.61) TSHRALDH1A1NR4A2NR4A1NR4A3

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
US-6830704-B2 Contains a Lewis acid metal salt and a compound having clathrating ability. TOAGOSEI CO., LTD. (JP) 2004-12-14 US disclosed
US-20030135016-A1 Contains a Lewis acid metal salt and a compound having clathrating ability. TOAGOSEI CO., LTD. 2003-07-17 US disclosed
US-6547985-B1 Adhesive mixture TOGOSEI CO., LTD. (JP) 2003-04-15 US disclosed