SCHEMBL30725829

SCHEMBL30725829

CCC[C@H](N[S@+]([O-])C(C)(C)C)c1ccc(C)cc1

nearest known ligand 0.36

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
CA12 O43570 1/20 0.36
CA2 P00918 1/20 0.36
CA9 Q16790 1/20 0.36
ALDH1A1 P00352 1/20 0.35
LMNA P02545 1/20 0.35
SMN1; SMN2 Q16637 1/20 0.35
MEN1 O00255 1/20 0.34
CYP1A2 P05177 1/20 0.34
CYP3A4 P08684 1/20 0.34
CYP2D6 P10635 1/20 0.34
CYP2C9 P11712 1/20 0.34
CYP2C19 P33261 1/20 0.34
KMT2A Q03164 1/20 0.34
HRH3 Q9Y5N1 1/20 0.32
UTS2R Q9UKP6 1/20 0.32
SLC6A3 Q01959 3/20 0.30
SLC6A2 P23975 2/20 0.30
SLC6A4 P31645 2/20 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
SCHEMBL4937829 0.87 ALDH1A1 (0.46) ALDH1A1LMNASMN1; SMN2MEN1CYP1A2
SCHEMBL4935671 0.87 ALDH1A1 (0.46) ALDH1A1LMNASMN1; SMN2MEN1CYP1A2
SCHEMBL24528963 0.86 ALDH1A1 (0.36) ALDH1A1SMN1; SMN2MEN1CYP1A2CYP3A4
SCHEMBL21591856 0.86 ESR1 (0.41) ALDH1A1LMNASMN1; SMN2MEN1CYP1A2
SCHEMBL14123426 0.86 AOC3 (0.38) LMNASLC6A3
SCHEMBL2242090 0.86 AOC3 (0.38) LMNASLC6A3
SCHEMBL13216631 0.80 PDE2A (0.41) ALDH1A1LMNASLC6A2SLC6A4
SCHEMBL21591854 0.78 PREP (0.34) CA12CA9
SCHEMBL21544919 0.78 CYP1A2 (0.38) ALDH1A1LMNACYP1A2CYP3A4CYP2D6
SCHEMBL21544921 0.78 CYP1A2 (0.38) ALDH1A1LMNACYP1A2CYP3A4CYP2D6

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-117185976-B Synthesis method of compound L635 深圳市灵兰生物医药科技有限公司 2024-12-31 CN disclosed
CN-117185976-A Synthesis method of compound L635 深圳市灵兰生物医药科技有限公司 2023-12-08 CN disclosed