SCHEMBL2655032

SCHEMBL2655032

COC(=O)C1(c2ccc(SC)cc2C2CCCCC2)CC1

nearest known ligand 0.43

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
▸ HPGD P15428 5/20 0.43
▸ ALDH1A1 P00352 3/20 0.43
▸ MEN1 O00255 2/20 0.41
▸ KMT2A Q03164 2/20 0.41
▸ CYP1A2 P05177 1/20 0.41
▸ CYP3A4 P08684 1/20 0.41
▸ MAPT P10636 1/20 0.41
▸ SMN1; SMN2 Q16637 2/20 0.38
▸ RAB9A P51151 1/20 0.36
▸ CASP6 P55212 1/20 0.36
▸ ADCY1 Q08828 1/20 0.36
▸ LMNA P02545 2/20 0.36
▸ PTGDR2 Q9Y5Y4 2/20 0.36
▸ PTGDR Q13258 1/20 0.36
▸ TSHR P16473 2/20 0.35
▸ GAA P10253 1/20 0.34
▸ POLB P06746 1/20 0.34
▸ SOD1 P00441 1/20 0.33

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
SCHEMBL2654649 0.82 PTGDR2 (0.37) ALDH1A1MEN1KMT2ACYP3A4MAPT
SCHEMBL2652831 0.81 PTGDR2 (0.35) ALDH1A1MEN1KMT2ACYP3A4MAPT
SCHEMBL2654132 0.80 PTGS2 (0.41) ALDH1A1MEN1KMT2ASMN1; SMN2PTGDR2
SCHEMBL2655512 0.71 PTGDR2 (0.55) MEN1KMT2ACYP3A4MAPTRAB9A
SCHEMBL2654413 0.66 PTGDR2 (0.51) MEN1KMT2ACYP3A4SMN1; SMN2RAB9A
SCHEMBL15912493 0.66 HDAC4 (0.33) HPGDALDH1A1KMT2ACYP1A2MAPT
SCHEMBL2653490 0.66 CYP3A4 (0.41) MEN1KMT2ACYP3A4MAPTPTGDR2
SCHEMBL31045579 0.66 ALOX5AP (0.36) —
SCHEMBL27484415 0.65 HPGD (0.44) HPGDALDH1A1MEN1KMT2ACYP1A2
SCHEMBL31045604 0.65 PDE4B (0.44) —

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-1585739-A1 SUBSTITUTED ARYLCYCLOPROPYLACETAMIDES AS GLUCOKINASE ACTIVATORS ELI LILLY AND COMPANY (US) 2005-10-19 — — EP disclosed
WO-2004063179-A1 SUBSTITUTED ARYLCYCLOPROPYLACETAMIDES AS GLUCOKINASE ACTIVATORS ELI LILLY AND COMPANY (US) 2004-07-29 — — WO disclosed
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