SCHEMBL31747670

SCHEMBL31747670

CC1=C(SCc2ccccc2)C(=O)CC(C)(C)C1

nearest known ligand 0.49

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
S100A4 P26447 1/20 0.49
ALDH1A1 P00352 4/20 0.46
LRRK2 Q5S007 1/20 0.43
MEN1 O00255 1/20 0.41
APEX1 P27695 1/20 0.41
KMT2A Q03164 1/20 0.41
HPGD P15428 2/20 0.40
LMNA P02545 2/20 0.40
CYP11B2 P19099 1/20 0.40
ALPL P05186 1/20 0.40
CYP3A4 P08684 1/20 0.40
CYP2C9 P11712 1/20 0.40
CYP2C19 P33261 1/20 0.40
SMN1; SMN2 Q16637 1/20 0.40
L3MBTL1 Q9Y468 1/20 0.40
BRD4 O60885 1/20 0.40
NPSR1 Q6W5P4 1/20 0.39
POLB P06746 1/20 0.39
KDM4E B2RXH2 1/20 0.39

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
SCHEMBL11855826 0.84 ALDH1A1 (0.62) S100A4ALDH1A1LRRK2MEN1KMT2A
SCHEMBL24141566 0.76 ALDH1A1 (0.69) ALDH1A1MEN1KMT2AHPGDCYP11B2
SCHEMBL31747661 0.76 ALDH1A1 (0.35) ALDH1A1MEN1KMT2AHPGDCYP3A4
SCHEMBL11848595 0.74 ALDH1A1 (0.50) ALDH1A1MEN1KMT2AHPGDLMNA
SCHEMBL19545057 0.72 LRRK2 (0.64) LRRK2BRD4
SCHEMBL9402076 0.71 ALDH1A1 (0.33) ALDH1A1MEN1KMT2AALPLPOLB
SCHEMBL11851358 0.71 ALDH1A1 (0.50) ALDH1A1HPGDLMNASMN1; SMN2L3MBTL1
SCHEMBL7665905 0.70 HPGD (0.49) ALDH1A1LRRK2HPGDLMNAALPL
SCHEMBL7665836 0.70 RXFP1 (0.45) LRRK2KMT2AHPGDLMNAALPL
SCHEMBL11856158 0.70 ALDH1A1 (0.49) ALDH1A1HPGDCYP11B2SMN1; SMN2L3MBTL1

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-4667535-A1 NONLINEAR OPTICAL DYES WITH IMPROVED STABILITY SilOriX GmbH (DE) 2025-12-24 EP disclosed