SCHEMBL24465320

SCHEMBL24465320

CCCC1(c2cccc(C(=O)N(N)S(=O)(=O)C(F)(F)F)c2)CO1

nearest known ligand 0.33

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
OPRM1 P35372 3/20 0.33
OPRL1 P41146 2/20 0.33
LOX P28300 1/20 0.31
ALDH1A1 P00352 1/20 0.31
POLB P06746 1/20 0.31
MEN1 O00255 1/20 0.30
KMT2A Q03164 1/20 0.30
NCOA3 Q9Y6Q9 1/20 0.30

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
SCHEMBL24465375 0.83 OPRM1 (0.36) OPRM1OPRL1
SCHEMBL24465376 0.69 PARP1 (0.55)
SCHEMBL24465322 0.69 SCN5A (0.36) ALDH1A1POLBMEN1KMT2A
SCHEMBL8042370 0.69 CES1 (0.42) ALDH1A1POLB
SCHEMBL27885042 0.62 KDM1A (0.38) OPRM1OPRL1
SCHEMBL10812665 0.62 KDM1A (0.38) OPRM1OPRL1
SCHEMBL24465368 0.61 PARP1 (0.36)
SCHEMBL24465300 0.59 ALDH1A1 (0.41) ALDH1A1MEN1KMT2A
SCHEMBL3906972 0.58 MLYCD (0.44) ALDH1A1POLB
SCHEMBL16244120 0.57 ESR1 (0.36) OPRM1ALDH1A1MEN1KMT2A

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
EP-4006921-A2 BIO-ELECTRODE COMPOSITION, BIO-ELECTRODE, METHOD FOR MANUFACTURING BIO-ELECTRODE, AND REACTION COMPOSITE Shin-Etsu Chemical Co., Ltd. (JP) 2022-06-01 EP disclosed