SCHEMBL28875760

SCHEMBL28875760

CC(=O)N1CCSC1(CC(=O)O)C(=O)O

nearest known ligand 0.32

Predicted protein targets (top 1)

geneUniProtsupporting neighboursconfidence
CYP3A4 P08684 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
SCHEMBL25055688 0.62 ADRA2C (0.31)
SCHEMBL25055476 0.62 ADRA2C (0.36)
SCHEMBL25055618 0.62 SMN1; SMN2 (0.38)
SCHEMBL25055516 0.62 CYP1A2 (0.34)
SCHEMBL25055554 0.61 CYP1A2 (0.38) CYP3A4
SCHEMBL25055435 0.60 ADRA2C (0.54)
SCHEMBL25055613 0.59 KDM4E (0.36)
SCHEMBL25055607 0.59 ALDH1A1 (0.33) CYP3A4
SCHEMBL25055560 0.58 ADRA2C (0.45)
SCHEMBL6835470 0.55

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-115135307-A Carrier for cell delivery 株式会社ITO 2022-09-30 CN claimed
CN-115135307-A Carrier for cell delivery 株式会社ITO 2022-09-30 CN disclosed