SCHEMBL9785079

SCHEMBL9785079

CCC[C@@]1(C(=O)Cl)CC1(Cl)Cl

nearest known ligand 0.33

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
TSHR P16473 1/20 0.33
ALDH1A1 P00352 1/20 0.31
TP53 P04637 1/20 0.31
HPGD P15428 1/20 0.31
SMN1; SMN2 Q16637 1/20 0.31
NPSR1 Q6W5P4 1/20 0.31
TDP1 Q9NUW8 1/20 0.30

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
SCHEMBL9785082 1.00 TSHR (0.33) TSHRALDH1A1TP53HPGDSMN1; SMN2
SCHEMBL9784952 0.82 HPGD (0.31) HPGDSMN1; SMN2NPSR1
SCHEMBL9785029 0.81 HPGD (0.32) TSHRHPGDSMN1; SMN2NPSR1
SCHEMBL9785035 0.81 HPGD (0.32) TSHRHPGDSMN1; SMN2NPSR1
SCHEMBL8616390 0.70
SCHEMBL9639839 0.67 NPSR1 (0.32) HPGDSMN1; SMN2NPSR1
SCHEMBL9784921 0.67 NPSR1 (0.32) HPGDSMN1; SMN2NPSR1
SCHEMBL3350860 0.67 PKM (0.36)
SCHEMBL11613514 0.67
SCHEMBL9509513 0.67

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-4988734-A Fungicides BAYER AKTIENGESELLSCHAFT (DE) 1991-01-29 US disclosed