SCHEMBL31496759

SCHEMBL31496759

CC(C)(C)[S@+]([O-])Nc1ccc(F)c(F)c1C(=O)O

nearest known ligand 0.37

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ ALDH1A1 P00352 1/20 0.37
▸ FABP4 P15090 2/20 0.34
▸ MEN1 O00255 4/20 0.33
▸ KMT2A Q03164 4/20 0.33
▸ MAPK1 P28482 1/20 0.33
▸ PKM P14618 1/20 0.33
▸ RXFP1 Q9HBX9 1/20 0.33
▸ MAP2K1 Q02750 2/20 0.33
▸ MAP2K2 P36507 1/20 0.33
▸ METAP2 P50579 3/20 0.32
▸ BRAF P15056 1/20 0.32
▸ FABP3 P05413 1/20 0.32
▸ SMN1; SMN2 Q16637 1/20 0.31
▸ CA1 P00915 2/20 0.30
▸ CA2 P00918 2/20 0.30
▸ CA9 Q16790 2/20 0.30
▸ EPHX2 P34913 1/20 0.30
▸ CA12 O43570 1/20 0.30
▸ BACE1 P56817 1/20 0.30
▸ DHODH Q02127 1/20 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
SCHEMBL31496748 0.87 METAP2 (0.39) MEN1KMT2AMAPK1METAP2SMN1; SMN2
SCHEMBL31496747 0.87 SORT1 (0.36) ALDH1A1FABP4MEN1KMT2AMAPK1
SCHEMBL31496763 0.75 KDM4E (0.45) ALDH1A1FABP4MEN1KMT2AFABP3
SCHEMBL31429932 0.71 ALDH1A1 (0.45) ALDH1A1FABP4MEN1KMT2AMAPK1
SCHEMBL7391248 0.71 CYP17A1 (0.43) ALDH1A1FABP4MEN1KMT2AMAPK1
SCHEMBL31496755 0.69 FABP4 (0.45) ALDH1A1FABP4MEN1KMT2APKM
SCHEMBL31496746 0.69 MEN1 (0.48) ALDH1A1FABP4MEN1KMT2AMETAP2
SCHEMBL23877482 0.69 KDM1A (0.51) ALDH1A1
SCHEMBL20725653 0.69 BRAF (0.41) FABP4MEN1KMT2AMAPK1METAP2
SCHEMBL31496745 0.68 ALB (0.44) ALDH1A1KMT2A

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-119661407-A Chiral sulfinamide carboxylic acid compound, and synthetic method and application thereof 浙江大学 2025-03-21 — — CN disclosed
Send feedback