SCHEMBL7830218

SCHEMBL7830218

C=C1CC2CCCC(C1)C(=O)N(Cc1ccccc1)C2=O

nearest known ligand 0.58

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ ALDH1A1 P00352 9/20 0.58
▸ SMN1; SMN2 Q16637 3/20 0.50
▸ MEN1 O00255 1/20 0.50
▸ KMT2A Q03164 1/20 0.50
▸ MT-CO2 P00403 1/20 0.49
▸ ALOX5 P09917 1/20 0.49
▸ GAA P10253 2/20 0.48
▸ CYP1A2 P05177 1/20 0.48
▸ CYP3A4 P08684 1/20 0.48
▸ CYP2C9 P11712 1/20 0.48
▸ HPGD P15428 1/20 0.48
▸ CYP2C19 P33261 1/20 0.48
▸ STAT6 P42226 1/20 0.48
▸ TSHR P16473 3/20 0.48
▸ POLB P06746 1/20 0.45
▸ USP2 O75604 1/20 0.45
▸ LMNA P02545 1/20 0.45
▸ MAPK1 P28482 1/20 0.45
▸ NPSR1 Q6W5P4 1/20 0.45
▸ ALOX15 P16050 1/20 0.45

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
SCHEMBL7830266 0.88 ALDH1A1 (0.61) ALDH1A1SMN1; SMN2MEN1KMT2AMT-CO2
SCHEMBL3716740 0.77 ALDH1A1 (0.93) ALDH1A1SMN1; SMN2MEN1KMT2AMT-CO2
SCHEMBL7829113 0.77 ALDH1A1 (0.93) ALDH1A1SMN1; SMN2MEN1KMT2AMT-CO2
SCHEMBL1021890 0.75 ALDH1A1 (0.61) ALDH1A1SMN1; SMN2MEN1KMT2AMT-CO2
SCHEMBL8383160 0.74 ALDH1A1 (1.00) ALDH1A1SMN1; SMN2MEN1KMT2AMT-CO2
SCHEMBL8383162 0.74 ALDH1A1 (1.00) ALDH1A1SMN1; SMN2MEN1KMT2AMT-CO2
SCHEMBL1449456 0.72 ALDH1A1 (0.66) ALDH1A1SMN1; SMN2MEN1KMT2AMT-CO2
SCHEMBL15087021 0.71 CHRM2 (0.50) ALDH1A1KMT2AUSP2LMNANPSR1
SCHEMBL15425874 0.71 CHRM2 (0.50) ALDH1A1KMT2AUSP2LMNANPSR1
SCHEMBL16775234 0.70 KMT2A (0.70) ALDH1A1SMN1; SMN2MEN1KMT2AHPGD

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
EP-0777653-B1 DIHYGROPYRIDINE DERIVATIVES AS BRADYKININ ANTAGONISTS PFIZER (US) 2001-08-22 — — EP disclosed
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