SCHEMBL29034985

SCHEMBL29034985

CCC(c1ccccc1S)c1ccccc1S

nearest known ligand 0.44

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
GPR84 Q9NQS5 1/20 0.44
TSHR P16473 2/20 0.41
LMNA P02545 1/20 0.39
TP53 P04637 1/20 0.36
HTR2A P28223 2/20 0.34
HRH1 P35367 2/20 0.34
MAPT P10636 1/20 0.34
HDAC8 Q9BY41 1/20 0.34
POLB P06746 1/20 0.33
TDP1 Q9NUW8 1/20 0.33
TRPA1 O75762 1/20 0.33
CYP1A2 P05177 1/20 0.33
CYP3A4 P08684 1/20 0.33
CYP2C9 P11712 1/20 0.33
CYP2C19 P33261 1/20 0.33
BCHE P06276 1/20 0.33
TYR P14679 1/20 0.33
ACHE P22303 1/20 0.33
MIF P14174 1/20 0.32

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
SCHEMBL944816 0.80 TSHR (0.64) TSHRLMNATRPA1
SCHEMBL8517110 0.80 TSHR (0.41) GPR84TSHRLMNATP53MAPT
SCHEMBL10662942 0.76 TSHR (0.39) TSHRLMNATP53MAPTHDAC8
SCHEMBL28221722 0.76 LMNA (0.52) TSHRLMNAMAPTHDAC8TRPA1
SCHEMBL3672924 0.76 TSHR (0.39) TSHRLMNA
SCHEMBL10455676 0.76 TSHR (0.39) TSHRLMNACYP1A2CYP2C9CYP2C19
SCHEMBL2186068 0.75 GPR84 (0.44) GPR84TSHRLMNATP53HTR2A
SCHEMBL6547004 0.75 ESR1 (0.50) GPR84TSHRLMNATP53HTR2A
SCHEMBL10580121 0.74 LMNA (0.41) TSHRLMNAMAPTHDAC8POLB
SCHEMBL11205377 0.74 HTR2A (0.54) GPR84TSHRLMNAHTR2AHRH1

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
CN-113544120-B Novel compound, composition containing same, self-repairing material, surface coating agent, paint, adhesive, battery material, and cured product 株式会社ADEKA 2023-05-02 CN disclosed