SCHEMBL9654927

SCHEMBL9654927

CCCCc1ccccc1/N=C/c1ccc(OCC(=O)O)cc1

nearest known ligand 0.51

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
▸ CYP3A4 P08684 1/20 0.51
▸ CYP2D6 P10635 1/20 0.51
▸ CYP2C9 P11712 1/20 0.51
▸ PTPN1 P18031 3/20 0.47
▸ TSHR P16473 1/20 0.46
▸ ALDH1A1 P00352 1/20 0.44
▸ PTPN12 Q05209 1/20 0.44
▸ ALOX15 P16050 1/20 0.43
▸ PLA2G4B P0C869 1/20 0.43
▸ LTB4R2 Q9NPC1 1/20 0.43
▸ KMT2A Q03164 1/20 0.43
▸ FAAH O00519 2/20 0.42
▸ PPARG P37231 1/20 0.42
▸ PPARA Q07869 1/20 0.42
▸ HTT P42858 2/20 0.41
▸ TDP1 Q9NUW8 1/20 0.41
▸ L3MBTL1 Q9Y468 1/20 0.41
▸ FFAR1 O14842 1/20 0.41

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
SCHEMBL11509995 0.85 KMT2A (0.52) CYP3A4CYP2D6CYP2C9ALDH1A1KMT2A
SCHEMBL10878812 0.82 DHODH (0.54) CYP3A4CYP2D6CYP2C9ALDH1A1KMT2A
SCHEMBL11686280 0.81 CYP3A4 (0.52) CYP3A4CYP2D6CYP2C9ALDH1A1KMT2A
SCHEMBL8625262 0.81 CYP3A4 (0.52) CYP3A4CYP2D6CYP2C9ALDH1A1KMT2A
SCHEMBL7644622 0.81 CYP3A4 (0.60) CYP3A4CYP2D6CYP2C9ALDH1A1KMT2A
SCHEMBL8991598 0.79 CA1 (0.53) CYP3A4CYP2D6CYP2C9ALDH1A1KMT2A
SCHEMBL11751672 0.78 ALDH1A1 (0.55) ALDH1A1PTPN12ALOX15KMT2ATDP1
SCHEMBL2876296 0.76 ALOX15 (0.58) ALDH1A1PTPN12ALOX15KMT2AHTT
SCHEMBL2876298 0.76 ALOX15 (0.58) ALDH1A1PTPN12ALOX15KMT2AHTT
SCHEMBL11882646 0.73 MMP2 (0.50) CYP3A4ALDH1A1KMT2AFAAHHTT

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-5151333-A Containing imine derivative NIPPON ZEON CO., LTD (JP) 1992-09-29 — — US disclosed
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