SCHEMBL17372277

SCHEMBL17372277

CCCCC(CC)CN1c2ccccc2Sc2cc(/C=C(\C#N)C(=O)NCCCCCCCCCCCN(CCCCCC(=O)O)C(CCC(=O)O)C(=O)O)ccc21

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ ALDH1A1 P00352 4/20 0.40
▸ HPGD P15428 4/20 0.40
▸ DNM2 P50570 2/20 0.38
▸ DNM1 Q05193 8/20 0.37
▸ SMN1; SMN2 Q16637 3/20 0.37
▸ EGFR P00533 8/20 0.36
▸ KDM4E B2RXH2 3/20 0.36
▸ LMNA P02545 2/20 0.36
▸ MEN1 O00255 2/20 0.36
▸ CYP1A2 P05177 2/20 0.36
▸ CYP3A4 P08684 2/20 0.36
▸ CYP2D6 P10635 2/20 0.36
▸ MAPT P10636 2/20 0.36
▸ ALOX15 P16050 2/20 0.36
▸ ALOX12 P18054 2/20 0.36
▸ MAPK1 P28482 2/20 0.36
▸ CYP2C19 P33261 2/20 0.36
▸ RECQL P46063 2/20 0.36
▸ BLM P54132 2/20 0.36
▸ KMT2A Q03164 2/20 0.36

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
SCHEMBL17368894 0.94 ALDH1A1 (0.37) ALDH1A1HPGDDNM2DNM1SMN1; SMN2
SCHEMBL13345043 0.79 ALDH1A1 (0.38) ALDH1A1EGFRKDM4ELMNAMAPK1
SCHEMBL17226387 0.73 PTGS1 (0.37) ALDH1A1HPGDSMN1; SMN2KDM4ELMNA
SCHEMBL17368907 0.71 PDF (0.37) ALDH1A1HPGDSMN1; SMN2EGFRKDM4E
SCHEMBL13310455 0.69 PTGS1 (0.36) ALDH1A1HPGDSMN1; SMN2KDM4ELMNA
SCHEMBL13310457 0.68 PTGS1 (0.41) ALDH1A1HPGDSMN1; SMN2KDM4ELMNA
SCHEMBL2251832 0.64 PTGS1 (0.54) ALDH1A1HPGDSMN1; SMN2KDM4ELMNA
SCHEMBL13310456 0.64 APP (0.59) ALDH1A1HPGDKDM4EKMT2A
SCHEMBL13310458 0.64 ALDH1A1 (0.43) ALDH1A1HPGDSMN1; SMN2KDM4ELMNA
SCHEMBL10641674 0.63 SMN1; SMN2 (0.69) ALDH1A1HPGDDNM1SMN1; SMN2EGFR

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-20150380171-A1 CARRIER SYSTEM AND PHOTOELECTRIC CONVERSION DEVICE ADEKA CORPORATION (JP) 2015-12-31 — — US disclosed
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