SCHEMBL23838569

SCHEMBL23838569

CC1CCCCC(CCS)CCC1

nearest known ligand 0.39

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
CYP1A2 P05177 1/20 0.39
ACHE P22303 1/20 0.39
SIGMAR1 Q99720 3/20 0.38

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
SCHEMBL309707 0.84
SCHEMBL921779 0.84
SCHEMBL21524653 0.82 PHGDH (0.30)
SCHEMBL12424485 0.82 PHGDH (0.30)
SCHEMBL330457 0.82
SCHEMBL18571428 0.78 CYP1A2 (0.41) CYP1A2SIGMAR1
SCHEMBL23952730 0.78 ACHE (0.45) CYP1A2ACHESIGMAR1
SCHEMBL23952727 0.75 ACHE (0.46) CYP1A2ACHESIGMAR1
SCHEMBL23543239 0.75 CYP1A2 (0.42) CYP1A2SIGMAR1
SCHEMBL18638778 0.73 CYP1A2 (0.36) CYP1A2ACHESIGMAR1

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-3057610-B1 DRUG-CONJUGATES WITH A TARGETING MOLECULE AND TWO DIFFERENT DRUGS SORRENTO THERAPEUTICS INC (US) 2021-09-22 EP disclosed