SCHEMBL9816929

SCHEMBL9816929

COc1ccc(CC(NC(=O)C(CCSC)NC(C)=O)C(=O)O)cc1OC

nearest known ligand 0.59

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
▸ ATM Q13315 2/20 0.53
▸ LMNA P02545 1/20 0.53
▸ PTPN1 P18031 1/20 0.51
▸ DRD1 P21728 1/20 0.51
▸ LDHA P00338 1/20 0.50
▸ FPR2 P25090 1/20 0.49
▸ MEN1 O00255 3/20 0.48
▸ KMT2A Q03164 3/20 0.48
▸ MME P08473 1/20 0.47
▸ HPGD P15428 1/20 0.46
▸ MAPK1 P28482 1/20 0.46
▸ ALDH1A1 P00352 2/20 0.45
▸ BACE1 P56817 1/20 0.44

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
SCHEMBL9816922 1.00 ATM (0.53) ATMLMNAPTPN1DRD1LDHA
SCHEMBL9816930 0.88 DRD1 (0.54) ATMLMNAPTPN1DRD1ALDH1A1
SCHEMBL9816924 0.88 DRD1 (0.54) ATMLMNAPTPN1DRD1ALDH1A1
SCHEMBL2516037 0.86 LDHA (0.66) ATMLMNALDHAFPR2MEN1
SCHEMBL2516039 0.86 LDHA (0.66) ATMLMNALDHAFPR2MEN1
SCHEMBL3419160 0.86 LDHA (0.66) ATMLMNALDHAFPR2MEN1
Water SCHEMBL9352790 0.85 LDHA (0.64) ATMLMNALDHAFPR2MEN1
SCHEMBL8836882 0.82 GNPAT (0.61) PTPN1MMEBACE1
Alanine SCHEMBL18301528 0.81 LDHA (0.58) ATMLDHAFPR2MEN1KMT2A
Alanine SCHEMBL18301527 0.81 LDHA (0.58) ATMLDHAFPR2MEN1KMT2A

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-0106335-B1 PHARMACEUTICAL COMPOSITION AND A METHOD FOR ENHANCING THE ABSORPTION OF A PHARMACEUTICALLY ACTIVE COMPOUND Tanabe Seiyaku Co., Ltd. (JP) 1991-10-23 — — EP disclosed
Send feedback