Sugi Predict

Sugi Predict / Compounds / SCHEMBL6663030

SCHEMBL6663030

SCHEMBL6663030

COc1ccc(C(=O)CC(Cc2ccc(Cl)cc2)C(=O)O)cc1.COc1ccc(CC(CC(=O)c2ccc(F)cc2)C(=O)O)cc1.Cc1ccc(C(=O)CC(Cc2ccccc2)C(=O)O)cc1.O=C(CC(Cc1ccccc1)C(=O)O)c1ccc2c(c1)OCO2

nearest known ligand 0.49

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
▸ ALDH1A1 P00352 1/20 0.47
▸ FPR1 P21462 1/20 0.47
▸ LMNA P02545 1/20 0.45
▸ KMT2A Q03164 1/20 0.44
▸ PTPN1 P18031 1/20 0.44
▸ KMO O15229 1/20 0.44
▸ RAB9A P51151 1/20 0.44
▸ CTNNB1 P35222 2/20 0.43
▸ WNT3A P56704 2/20 0.43
▸ EDNRB P24530 2/20 0.43
▸ EDNRA P25101 1/20 0.43
▸ BCL2L1 Q07817 1/20 0.42
▸ MCL1 Q07820 1/20 0.42

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
SCHEMBL6670996 0.96 ALDH1A1 (0.51) ALDH1A1LMNAKMT2APTPN1KMO
SCHEMBL6662270 0.87 KMT2A (0.48) ALDH1A1LMNAKMT2AKMORAB9A
SCHEMBL6672055 0.84 KMT2A (0.50) ALDH1A1LMNAKMT2AKMORAB9A
SCHEMBL6675156 0.80 NPC1 (0.53) ALDH1A1LMNAKMT2AKMORAB9A
SCHEMBL3109605 0.79 LMNA (0.63) ALDH1A1LMNAKMT2AKMORAB9A
SCHEMBL6674722 0.78 KMO (0.57) ALDH1A1KMT2AKMORAB9ABCL2L1
SCHEMBL3104154 0.78 KMT2A (0.68) ALDH1A1KMT2AKMOBCL2L1MCL1
SCHEMBL3110072 0.78 LDHA (0.54) KMT2AKMORAB9ABCL2L1MCL1
SCHEMBL6672057 0.77 NPC1 (0.46) ALDH1A1LMNAKMT2ARAB9A
SCHEMBL6671105 0.76 KMO (0.54) ALDH1A1KMT2APTPN1KMORAB9A

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
EP-1448181-A1 PHARMACEUTICAL COMPOSITION COMPRISING A COMBINATION OF METFORMIN AND A 4-OXOBUTANOIC ACID, AND THE USE THEREOF FOR TREATING DIABETES MERCK PATENT GmbH (DE) 2004-08-25 — — EP claimed
WO-2003045368-A1 PHARMACEUTICAL COMPOSITION COMPRISING A COMBINATION OF METFORMIN AND A 4-OXOBUTANOIC ACID, AND THE USE THEREOF FOR TREATING DIABETES MERCK PATENT GMBH (DE) 2003-06-05 — — WO claimed