SCHEMBL4407255

SCHEMBL4407255

CCCCc1nnnn1-c1ccccc1

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HSD11B1 P28845 5/20 0.55
HTT P42858 4/20 0.54
PKM P14618 2/20 0.54
NLRP3 Q96P20 1/20 0.54
ALDH1A1 P00352 13/20 0.53
LMNA P02545 6/20 0.49
KMT2A Q03164 3/20 0.49
L3MBTL1 Q9Y468 2/20 0.49
THRB P10828 1/20 0.49
NPSR1 Q6W5P4 3/20 0.46
TSHR P16473 2/20 0.46
MEN1 O00255 1/20 0.46
SMN1; SMN2 Q16637 4/20 0.44
CYP1A2 P05177 1/20 0.44
POLB P06746 1/20 0.44
CYP2C9 P11712 1/20 0.44
CYP2C19 P33261 1/20 0.44
MAPT P10636 2/20 0.44
HPGD P15428 2/20 0.44
CCR6 P51684 1/20 0.44

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
SCHEMBL4406817 0.95 HSD11B1 (0.54) HSD11B1HTTPKMNLRP3ALDH1A1
SCHEMBL4413278 0.94 HSD11B1 (0.52) HSD11B1HTTPKMNLRP3ALDH1A1
SCHEMBL22716411 0.94 HSD11B1 (0.52) HSD11B1HTTPKMNLRP3ALDH1A1
SCHEMBL4414691 0.90 HSD11B1 (0.57) HSD11B1HTTPKMNLRP3ALDH1A1
SCHEMBL4675275 0.86 HSD11B1 (0.64) HSD11B1HTTPKMNLRP3ALDH1A1
SCHEMBL14438051 0.84 ALDH1A1 (0.52) ALDH1A1LMNAL3MBTL1NPSR1CYP1A2
SCHEMBL156901 0.82 HTT (0.60) HSD11B1HTTPKMNLRP3ALDH1A1
SCHEMBL10675268 0.81 HSD11B1 (0.53) HSD11B1ALDH1A1KMT2ASMN1; SMN2HPGD
SCHEMBL10681785 0.81 HSD11B1 (0.47) HSD11B1HTTPKMNLRP3ALDH1A1
SCHEMBL96765 0.81 HSD11B1 (0.56) HSD11B1HTTPKMNLRP3ALDH1A1

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-1859782-B1 Composition for coloring and/or lightening human hair comprising tetrazoles HENKEL AG & CO KGAA (DE) 2009-12-30 EP disclosed
EP-1859782-A1 Composition for coloring and/or lightening human hair comprising tetrazoles Henkel Kommanditgesellschaft auf Aktien (DE) 2007-11-28 EP disclosed