SCHEMBL11835530

SCHEMBL11835530

O=C1c2ccccc2C(=S)N1C1CCC(N2C(=O)c3ccccc3C2=S)CC1

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TSHR P16473 3/20 0.45
ALDH1A1 P00352 3/20 0.45
CYP1A2 P05177 2/20 0.45
CHRM2 P08172 1/20 0.45
OPRM1 P35372 1/20 0.45
DDB1 Q16531 1/20 0.45
CRBN Q96SW2 1/20 0.45
IKZF3 Q9UKT9 1/20 0.45
TDP1 Q9NUW8 1/20 0.45
KMT2A Q03164 1/20 0.44
L3MBTL1 Q9Y468 1/20 0.44
DPP4 P27487 1/20 0.42
NR1H2 P55055 1/20 0.42
NR1H3 Q13133 1/20 0.42
LMNA P02545 1/20 0.40
GAA P10253 1/20 0.40
MAPT P10636 1/20 0.40
PKM P14618 1/20 0.40
HPGD P15428 1/20 0.40
ALOX15 P16050 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
SCHEMBL29600139 0.91 ALDH1A1 (0.53) TSHRALDH1A1CYP1A2CHRM2OPRM1
SCHEMBL109413 0.91 ALDH1A1 (0.53) TSHRALDH1A1CYP1A2CHRM2OPRM1
SCHEMBL12520706 0.90 ALDH1A1 (0.51) TSHRALDH1A1CYP1A2CHRM2OPRM1
SCHEMBL2665681 0.86 L3MBTL1 (0.54) TSHRALDH1A1CYP1A2CHRM2OPRM1
SCHEMBL9625796 0.86 L3MBTL1 (0.54) TSHRALDH1A1CYP1A2CHRM2OPRM1
SCHEMBL2174046 0.82 DPP4 (0.39) TSHRALDH1A1CYP1A2CHRM2OPRM1
Phthalic Acid SCHEMBL10456682 0.81 ALDH1A1 (0.47) TSHRALDH1A1KMT2AL3MBTL1MAPT
SCHEMBL30212234 0.78 ALDH1A1 (0.57) TSHRALDH1A1CYP1A2CHRM2OPRM1
SCHEMBL7201032 0.78 ALDH1A1 (0.57) TSHRALDH1A1CYP1A2CHRM2OPRM1
SCHEMBL18935574 0.78 ALDH1A1 (0.62) TSHRALDH1A1CYP1A2CHRM2OPRM1

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-3974163-A VULCANIZATION INHIBITOR MONSANTO COMPANY (US) 1976-08-10 US disclosed