SCHEMBL4751896

SCHEMBL4751896

C[C@H](OC(=O)N1CCN(C(=O)O[C@@H](C)S(=O)(=O)c2ccccc2)CC1)S(=O)(=O)c1ccccc1

nearest known ligand 0.48

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
CHRM2 P08172 1/20 0.48
CHRM1 P11229 1/20 0.48
GAA P10253 5/20 0.46
KMT2A Q03164 2/20 0.46
ALDH1A1 P00352 2/20 0.46
KDM4E B2RXH2 1/20 0.42
TSHR P16473 3/20 0.42
CYP2C19 P33261 1/20 0.42
LMNA P02545 1/20 0.41
HSD17B10 Q99714 1/20 0.41
APP P05067 1/20 0.40

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
SCHEMBL28635736 0.80 TSHR (0.47) ALDH1A1KDM4ETSHRLMNAHSD17B10
SCHEMBL9808496 0.78 TSHR (0.46) ALDH1A1KDM4ETSHRLMNAHSD17B10
SCHEMBL27698103 0.78 TSHR (0.56) KMT2AALDH1A1KDM4ETSHRLMNA
SCHEMBL787248 0.77 TSHR (0.44) ALDH1A1KDM4ETSHRLMNAHSD17B10
SCHEMBL27948846 0.76 TSHR (0.47) KMT2AALDH1A1TSHRLMNAHSD17B10
SCHEMBL28023655 0.76 TSHR (0.50) KMT2AALDH1A1TSHRLMNAHSD17B10
SCHEMBL5872395 0.73 LMNA (0.45) KMT2AALDH1A1KDM4ETSHRLMNA
SCHEMBL3182768 0.73 LMNA (0.42) GAAALDH1A1KDM4ETSHRLMNA
SCHEMBL20408695 0.73 GAA (0.56) GAAKMT2AALDH1A1LMNA
SCHEMBL27671277 0.71 ATM (0.44) GAAALDH1A1TSHRLMNAHSD17B10

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
WO-2008139941-A1 SUBSTITUTED IMIDAZOLE COMPOUND AND USE THEREOF TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2008-11-20 WO disclosed