SCHEMBL29131269

SCHEMBL29131269

COC(=O)CCCCC[S@+]([O-])C(c1ccccc1)c1ccccc1

nearest known ligand 0.44

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
LMNA P02545 2/20 0.44
CA12 O43570 2/20 0.41
CA7 P43166 2/20 0.41
CA9 Q16790 2/20 0.41
CA14 Q9ULX7 2/20 0.41
PTPRC P08575 2/20 0.41
PTPN13 Q12923 1/20 0.41
KDM4E B2RXH2 1/20 0.40
ALDH1A1 P00352 1/20 0.40
PPARG P37231 1/20 0.40
LTB4R Q15722 1/20 0.40
MAPT P10636 1/20 0.38
KMT2A Q03164 1/20 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
SCHEMBL19385885 0.88 CA12 (0.45) LMNACA12CA7CA9CA14
SCHEMBL19385886 0.88 CA12 (0.45) LMNACA12CA7CA9CA14
SCHEMBL20545009 0.81 LMNA (0.47) LMNAPTPRCPTPN13KDM4EALDH1A1
SCHEMBL19403436 0.79 KMT2A (0.44) LMNACA12CA7CA9CA14
SCHEMBL19385941 0.79 KMT2A (0.44) LMNACA12CA7CA9CA14
SCHEMBL1537276 0.79 KMT2A (0.44) LMNACA12CA7CA9CA14
SCHEMBL17045901 0.77 LMNA (0.46) LMNACA12CA7CA9CA14
SCHEMBL20124874 0.75 CA12 (0.47) LMNACA12CA7CA9CA14
SCHEMBL11046700 0.75 HDAC1 (0.53) KDM4E
SCHEMBL11121883 0.75 PPARG (0.50) LMNACA12CA7CA9CA14

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
CN-117303992-A Preparation method of polyfunctional group substituted chiral sulfoxide compound 厦门大学 2023-12-29 CN disclosed