SCHEMBL31499299

SCHEMBL31499299

COC(SSC(OC)c1ccccc1)c1ccccc1

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 1/20 0.40
EPHX1 P07099 1/20 0.38
THRB P10828 1/20 0.38
DPP4 P27487 2/20 0.36
F2 P00734 1/20 0.36
TSHR P16473 1/20 0.36
CA4 P22748 1/20 0.36
TAAR1 Q96RJ0 2/20 0.34
HTR2A P28223 2/20 0.34
HRH1 P35367 2/20 0.34
LMNA P02545 1/20 0.34
CHRM2 P08172 1/20 0.34
CHRM4 P08173 1/20 0.34
CHRM5 P08912 1/20 0.34
ADRA2A P08913 1/20 0.34
ADORA3 P0DMS8 1/20 0.34
CYP2D6 P10635 1/20 0.34
CHRM1 P11229 1/20 0.34
CHRM3 P20309 1/20 0.34
DRD1 P21728 1/20 0.34

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
SCHEMBL24002249 0.91 THRB (0.38) KMT2AEPHX1THRBTAAR1LMNA
SCHEMBL6651178 0.85 KMT2A (0.40) KMT2AEPHX1THRBDPP4F2
SCHEMBL1782470 0.85 KMT2A (0.40) KMT2AEPHX1THRBDPP4F2
SCHEMBL24243366 0.83 LMNA (0.36) KMT2AEPHX1THRBTSHRTAAR1
SCHEMBL5503227 0.81 KMT2A (0.38) KMT2AEPHX1THRBDPP4F2
SCHEMBL546542 0.81 KMT2A (0.38) KMT2AEPHX1THRBDPP4F2
SCHEMBL20054801 0.74 KMT2A (0.46) KMT2ATSHRLMNACYP2D6ALDH1A1
Methylene Chloride SCHEMBL28192145 0.74 KMT2A (0.33) KMT2AEPHX1THRBTSHRTAAR1
SCHEMBL98494 0.73 KMT2A (0.39) KMT2ACHRM2SLC6A3ALDH1A1
SCHEMBL5051061 0.72 TRPA1 (0.40) KMT2AEPHX1ALDH1A1

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-119504528-A Method for carrying out disulfide bond reversible exchange under mild biological compatibility condition 南京耀佳源生物医药有限公司 2025-02-25 CN disclosed