SCHEMBL11724613

SCHEMBL11724613

CC1(C)SC(c2ccc(Cl)cc2)N(C=O)C1C(=O)O

nearest known ligand 0.41

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
▸ MEN1 O00255 4/20 0.41
▸ KMT2A Q03164 4/20 0.41
▸ MAPK1 P28482 1/20 0.36
▸ CYP1A2 P05177 1/20 0.34
▸ ALOX15 P16050 1/20 0.34
▸ PTGS1 P23219 1/20 0.34
▸ ALDH1A1 P00352 2/20 0.33
▸ POLB P06746 2/20 0.33
▸ HRH1 P35367 1/20 0.33
▸ SLC22A8 Q8TCC7 1/20 0.33
▸ CYP2C19 P33261 1/20 0.33
▸ HTR7 P34969 1/20 0.33
▸ KDM4E B2RXH2 2/20 0.32
▸ RECQL P46063 2/20 0.32
▸ TDP1 Q9NUW8 1/20 0.32
▸ HPGD P15428 1/20 0.32
▸ TEK Q02763 1/20 0.32
▸ SLC15A2 Q16348 1/20 0.32

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
SCHEMBL10669710 0.80 MEN1 (0.42) MEN1KMT2AMAPK1CYP1A2ALOX15
SCHEMBL10665502 0.80 MEN1 (0.42) MEN1KMT2AMAPK1CYP1A2ALOX15
SCHEMBL10665494 0.80 MEN1 (0.42) MEN1KMT2AMAPK1CYP1A2ALOX15
SCHEMBL10669714 0.80 MEN1 (0.42) MEN1KMT2AMAPK1CYP1A2ALOX15
SCHEMBL57526 0.68 KMT2A (0.54) MEN1KMT2ACYP1A2ALOX15PTGS1
SCHEMBL58587 0.68 KMT2A (0.54) MEN1KMT2ACYP1A2ALOX15PTGS1
SCHEMBL10662587 0.67 PPARA (0.44) MEN1KMT2AMAPK1CYP1A2ALOX15
SCHEMBL10662596 0.67 PPARA (0.44) MEN1KMT2AMAPK1CYP1A2ALOX15
SCHEMBL9844102 0.67 MEN1 (0.52) MEN1KMT2ACYP1A2ALOX15PTGS1
SCHEMBL10669656 0.67 MEN1 (0.43) MEN1KMT2ACYP1A2ALOX15POLB

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-4059589-A Process for formylation DEUTSCHE GOLD- UND SILBER-SCHEIDEANSTALT VORMALS ROESSLER (DT) 1977-11-22 — — US disclosed
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