SCHEMBL14896852

SCHEMBL14896852

BCCCCC(CCNCc1ccc(Cl)c(Cl)c1)(NC)C(=O)O

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ TSHR P16473 2/20 0.40
▸ ALOX15 P16050 1/20 0.40
▸ CYP1A2 P05177 1/20 0.38
▸ CYP2D6 P10635 1/20 0.38
▸ CYP2C9 P11712 1/20 0.38
▸ CYP2C19 P33261 1/20 0.38
▸ SMN1; SMN2 Q16637 1/20 0.38
▸ TRPV1 Q8NER1 1/20 0.37
▸ FFAR1 O14842 2/20 0.37
▸ PRMT5 O14744 1/20 0.37
▸ WDR77 Q9BQA1 1/20 0.37
▸ HPGD P15428 1/20 0.36
▸ PLA2G1B P04054 1/20 0.36
▸ POLB P06746 1/20 0.36
▸ ATG4B Q9Y4P1 1/20 0.36
▸ S1PR2 O95136 1/20 0.36
▸ S1PR4 O95977 1/20 0.36
▸ S1PR1 P21453 1/20 0.36
▸ S1PR3 Q99500 1/20 0.36
▸ PYGL P06737 1/20 0.35

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
SCHEMBL14879650 0.87 ARG1 (0.45) TSHRALOX15CYP1A2CYP2D6CYP2C9
SCHEMBL20156733 0.85 S1PR1 (0.46) TSHRALOX15CYP1A2CYP2D6CYP2C9
SCHEMBL20683376 0.83 SMN1; SMN2 (0.45) SMN1; SMN2S1PR2S1PR4S1PR1S1PR3
SCHEMBL894960 0.83 ARG1 (0.45) TSHRALOX15CYP1A2CYP2D6CYP2C9
Hydrochloric Acid SCHEMBL896060 0.82 ARG1 (0.44) TSHRALOX15CYP1A2CYP2D6CYP2C9
SCHEMBL28256955 0.71 ALOX15 (0.47) TSHRALOX15CYP1A2CYP2D6CYP2C9
SCHEMBL894670 0.70 ARG1 (0.46) SMN1; SMN2S1PR2S1PR4S1PR1S1PR3
Hydrochloric Acid SCHEMBL894540 0.69 ARG1 (0.46) SMN1; SMN2S1PR2S1PR4S1PR1S1PR3
SCHEMBL5939885 0.68 FFAR1 (0.60) TSHRALOX15CYP1A2CYP2D6CYP2C9
SCHEMBL9775999 0.68 TSHR (0.38) TSHRSMN1; SMN2TRPV1FFAR1HPGD

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
EP-2768491-B1 INHIBITORS OF ARGINASE AND THEIR THERAPEUTIC APPLICATIONS MARS INC (US) 2016-12-21 — — EP disclosed
WO-2013059437-A1 INHIBITORS OF ARGINASE AND THEIR THERAPEUTIC APPLICATIONS MARS, INCORPORATED (US) 2013-04-25 — — WO disclosed
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