SCHEMBL11739281

SCHEMBL11739281

Cc1ccc(NCC(N)=O)c(C)c1O

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ ALDH1A1 P00352 8/20 0.38
▸ KMT2A Q03164 5/20 0.38
▸ GAA P10253 3/20 0.38
▸ ALOX15 P16050 2/20 0.38
▸ TP53 P04637 1/20 0.38
▸ HPGD P15428 1/20 0.38
▸ MAPK1 P28482 1/20 0.38
▸ LMNA P02545 2/20 0.35
▸ VDR P11473 2/20 0.35
▸ MAPT P10636 6/20 0.35
▸ KDM4E B2RXH2 2/20 0.35
▸ HTT P42858 2/20 0.35
▸ RXFP1 Q9HBX9 1/20 0.35
▸ F2 P00734 2/20 0.34
▸ PRSS1 P07477 1/20 0.34
▸ PRSS2 P07478 1/20 0.34
▸ PRSS3 P35030 1/20 0.34
▸ PLAU P00749 2/20 0.33
▸ TDP1 Q9NUW8 1/20 0.33
▸ F10 P00742 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
SCHEMBL7567449 0.79 ALDH1A1 (0.48) ALDH1A1KMT2AGAAALOX15TP53
SCHEMBL10786785 0.77 POLB (0.43) ALDH1A1KMT2AGAATP53HPGD
SCHEMBL11583134 0.76 CYP3A4 (0.61) ALDH1A1KMT2AGAALMNAMAPT
SCHEMBL15934239 0.76 CYP3A4 (0.55) ALDH1A1KMT2AGAAALOX15TP53
SCHEMBL7571211 0.73 KDM4E (0.39) ALDH1A1KMT2AGAAALOX15TP53
SCHEMBL4572861 0.73 MAPT (0.55) ALDH1A1KMT2AGAAHPGDMAPK1
SCHEMBL15934241 0.73 IDO1 (0.47) ALDH1A1GAATP53MAPK1VDR
SCHEMBL6836535 0.72 CXCR2 (0.46) ALDH1A1KMT2AGAAALOX15TP53
SCHEMBL15934307 0.71 IDO1 (0.49) ALDH1A1GAATP53HPGDMAPK1
Hydrochloric Acid SCHEMBL9313034 0.71 CXCR2 (0.45) ALDH1A1KMT2AGAAALOX15TP53

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
US-4035422-A DYEING L'OREAL (FR) 1977-07-12 — — US claimed
US-4035422-A DYEING L'OREAL (FR) 1977-07-12 — — US disclosed
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