SCHEMBL11512943

SCHEMBL11512943

CCCCc1ccc2c(CCCC)c(S(=O)(=O)O)ccc2c1

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HPGD P15428 3/20 0.42
NPC1 O15118 1/20 0.42
MAPK1 P28482 1/20 0.42
HTT P42858 1/20 0.42
RAB9A P51151 1/20 0.42
NPSR1 Q6W5P4 1/20 0.42
CA2 P00918 2/20 0.40
SMN1; SMN2 Q16637 1/20 0.40
SKP2 Q13309 1/20 0.40
METAP2 P50579 1/20 0.39
ALDH1A1 P00352 1/20 0.37
HSD17B10 Q99714 1/20 0.37
CYP1A2 P05177 2/20 0.37
TRPV1 Q8NER1 1/20 0.37
PSMB5 P28074 1/20 0.36
NCEH1 Q6PIU2 2/20 0.36
PTPN1 P18031 2/20 0.36
CYP3A4 P08684 2/20 0.35
CYP2D6 P10635 2/20 0.35
CYP2C9 P11712 2/20 0.35

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
SCHEMBL11512267 0.91 HPGD (0.42) HPGDNPC1MAPK1HTTRAB9A
SCHEMBL7563342 0.82 NCEH1 (0.51) HPGDALDH1A1HSD17B10NCEH1
SCHEMBL31409164 0.82 CA2 (0.41) HPGDNPC1MAPK1HTTRAB9A
SCHEMBL28487011 0.82 CA2 (0.41) HPGDNPC1MAPK1HTTRAB9A
Ammonia Solution, Strong SCHEMBL11299588 0.81 NCEH1 (0.50) HPGDALDH1A1HSD17B10NCEH1
SCHEMBL11511344 0.79 CA2 (0.39) HPGDNPC1MAPK1HTTRAB9A
SCHEMBL31409162 0.78 CA2 (0.43) CA2ALDH1A1HSD17B10CYP3A4
SCHEMBL4601026 0.77 POLB (0.50) HPGDNPC1MAPK1HTTRAB9A
SCHEMBL336890 0.77 KAT8 (0.43) CA2ALDH1A1HSD17B10CYP3A4
SCHEMBL15744777 0.77 KAT8 (0.43) CA2ALDH1A1HSD17B10CYP3A4

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-4171459-A Manufacture of α-naphthol BASF AKTIENGESELLSCHAFT (DE) 1979-10-16 US claimed
US-4171459-A Manufacture of α-naphthol BASF AKTIENGESELLSCHAFT (DE) 1979-10-16 US disclosed