SCHEMBL8699670

SCHEMBL8699670

CCC[CH]SCCCCC

nearest known ligand 0.37

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
CTSL P07711 1/20 0.37
CTSB P07858 1/20 0.37
TSHR P16473 5/20 0.35
THRB P10828 2/20 0.35
DNM1 Q05193 3/20 0.33
CES2 O00748 1/20 0.32
GMNN O75496 1/20 0.32
TP53 P04637 1/20 0.32
POLB P06746 1/20 0.32
MAPT P10636 1/20 0.32
CYP2C9 P11712 1/20 0.32
BLM P54132 1/20 0.32
HSD17B10 Q99714 1/20 0.32
ALDH1A1 P00352 1/20 0.32
CA2 P00918 1/20 0.31
FAAH O00519 2/20 0.31
ASAH1 Q13510 2/20 0.31
TRPV1 Q8NER1 1/20 0.31
DEGS1 O15121 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
SCHEMBL5992597 0.97 TSHR (0.40) CTSLCTSBTSHRTHRBDNM1
SCHEMBL9871564 0.97 TSHR (0.40) CTSLCTSBTSHRTHRBDNM1
SCHEMBL123011 0.92
SCHEMBL11305350 0.90 TSHR (0.38) CTSLCTSBTSHRTHRBDNM1
SCHEMBL201111 0.90 TSHR (0.40) CTSLCTSBTSHRTHRBDNM1
SCHEMBL198894 0.87 TSHR (0.44) CTSLCTSBTSHRTHRBDNM1
SCHEMBL199143 0.87 TSHR (0.44) CTSLCTSBTSHRTHRBDNM1
SCHEMBL198973 0.87 TSHR (0.44) CTSLCTSBTSHRTHRBDNM1
SCHEMBL200789 0.87 TSHR (0.44) CTSLCTSBTSHRTHRBDNM1
SCHEMBL199898 0.87 TSHR (0.44) CTSLCTSBTSHRTHRBDNM1

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
WO-1998007720-A1 SUBSTITUTED 2-ARYLPYRIDINE AS HERBICIDE BASF AKTIENGESELLSCHAFT (DE) 1998-02-26 WO disclosed