SCHEMBL9735598

SCHEMBL9735598

CCCCOc1cc2cc[nH]c2cc1OCc1ccccc1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
C5AR1 P21730 1/20 0.47
SRD5A1 P18405 1/20 0.45
SRD5A2 P31213 1/20 0.45
HTR1A P08908 2/20 0.42
ADRA1D P25100 2/20 0.42
ADRA1A P35348 2/20 0.42
ADRA1B P35368 2/20 0.42
GAA P10253 1/20 0.42
STAT3 P40763 1/20 0.42
HTT P42858 1/20 0.42
SMN1; SMN2 Q16637 1/20 0.42
MAPT P10636 2/20 0.41
APP P05067 1/20 0.41
TLR8 Q9NR97 2/20 0.41
L3MBTL1 Q9Y468 2/20 0.40
NSD2 O96028 1/20 0.40
ABL1 P00519 1/20 0.40
PPARG P37231 1/20 0.40
RIN1 Q13671 1/20 0.40
NCOR2 Q9Y618 1/20 0.40

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
SCHEMBL9735827 1.00 C5AR1 (0.47) C5AR1SRD5A1SRD5A2HTR1AADRA1D
SCHEMBL2077679 0.90 SRD5A1 (0.49) SRD5A1SRD5A2HTR1AGAASTAT3
SCHEMBL1777085 0.86 SRD5A1 (0.60) SRD5A1SRD5A2HTR1AADRA1DADRA1A
SCHEMBL187757 0.86 SRD5A1 (0.60) SRD5A1SRD5A2HTR1AADRA1DADRA1A
SCHEMBL14252834 0.82 L3MBTL1 (0.44) SRD5A1SRD5A2HTR1AADRA1DADRA1A
SCHEMBL186995 0.82 STAT3 (0.48) SRD5A1SRD5A2HTR1AADRA1DADRA1A
SCHEMBL17429741 0.81 PDE3B (0.50) MAPTTLR8MAPK1TLR7POLB
Hexane SCHEMBL27537617 0.81 ALOX5 (0.53) SRD5A2MAPTAPPL3MBTL1NSD2
SCHEMBL15952312 0.80 SRD5A1 (0.42) SRD5A1SRD5A2STAT3HTTSMN1; SMN2
SCHEMBL7098328 0.79 SRD5A1 (0.49) SRD5A1SRD5A2HTR1AADRA1DADRA1A

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 4 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-5126125-A Decreasing the melanin content in mammalian skin and hair using 5,6-dihydroxindole derivatives YALE UNIVERSITY (US) 1992-06-30 US claimed
US-5126125-A Decreasing the melanin content in mammalian skin and hair using 5,6-dihydroxindole derivatives YALE UNIVERSITY (US) 1992-06-30 US disclosed
US-4956174-A COSMETICS, TANNING, PIGMENTATION L'OREAL (FR) 1990-09-11 US disclosed
US-4822375-A LIGHTFAST, WEATHER RESISTANT, NATURAL APPEARING HAIR DYES L'OREAL (FR) 1989-04-18 US disclosed