SCHEMBL9775999

SCHEMBL9775999

CCCCCC(Cc1ccc(Cl)c(Cl)c1)(NC=O)C(=O)O

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ TSHR P16473 3/20 0.38
▸ FDPS P14324 1/20 0.38
▸ SMN1; SMN2 Q16637 1/20 0.38
▸ SIGMAR1 Q99720 2/20 0.37
▸ S1PR2 O95136 1/20 0.36
▸ S1PR4 O95977 1/20 0.36
▸ S1PR1 P21453 1/20 0.36
▸ S1PR3 Q99500 1/20 0.36
▸ LIPG Q9Y5X9 1/20 0.36
▸ CA1 P00915 1/20 0.36
▸ CA2 P00918 1/20 0.36
▸ KMT2A Q03164 1/20 0.35
▸ PYGL P06737 1/20 0.35
▸ TRPV1 Q8NER1 1/20 0.35
▸ FFAR1 O14842 1/20 0.35
▸ HAO1 Q9UJM8 1/20 0.34
▸ AKR1C2 P52895 1/20 0.34
▸ AKR1C1 Q04828 1/20 0.34
▸ KIF11 P52732 1/20 0.34
▸ SLC2A1 P11166 1/20 0.34

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
SCHEMBL20156733 0.78 S1PR1 (0.46) TSHRSMN1; SMN2S1PR2S1PR4S1PR1
SCHEMBL9776046 0.77 HPGD (0.46) TSHRFDPSSMN1; SMN2CA1CA2
SCHEMBL9776042 0.77 HPGD (0.46) TSHRFDPSSMN1; SMN2CA1CA2
SCHEMBL9776156 0.76 ARG1 (0.47) TSHRFDPSSMN1; SMN2SIGMAR1KMT2A
SCHEMBL6009477 0.68 SIGMAR1 (0.37) FDPSSMN1; SMN2SIGMAR1
SCHEMBL9776134 0.68 SIGMAR1 (0.41) TSHRFDPSSIGMAR1S1PR4S1PR1
SCHEMBL9776023 0.68 SIGMAR1 (0.41) TSHRFDPSSMN1; SMN2SIGMAR1S1PR4
SCHEMBL14896852 0.68 TSHR (0.40) TSHRSMN1; SMN2S1PR2S1PR4S1PR1
SCHEMBL28256955 0.68 ALOX15 (0.47) TSHRSMN1; SMN2S1PR2S1PR4S1PR1
SCHEMBL2163768 0.67 FDPS (0.51) TSHRFDPSSMN1; SMN2SIGMAR1KMT2A

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-4994617-A Analgesics JOUVEINAL S.A. (FR) 1991-02-19 — — US disclosed
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