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Sugi Predict / Compounds / SCHEMBL9068995

SCHEMBL9068995

SCHEMBL9068995

C[C@H](CCC(=O)[O-])[C@H]1CCC2C3CC[C@@H]4C[C@H](O)CC(C(=O)CN)[C@]4(C)C3C[C@H](O)[C@@]21C.C[C@H](CCC(=O)[O-])[C@H]1CCC2C3CC[C@@H]4C[C@H](O)CC(C(=O)CN)[C@]4(C)C3C[C@H](O)[C@@]21C.[Fe+2]

nearest known ligand 0.65

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
▸ GPBAR1 Q8TDU6 6/20 0.54
▸ SLC10A2 Q12908 2/20 0.54
▸ TBXA2R P21731 1/20 0.54
▸ PDE3A Q14432 1/20 0.54
▸ NR1H4 Q96RI1 1/20 0.54
▸ MAPT P10636 2/20 0.52
▸ MEN1 O00255 1/20 0.52
▸ KMT2A Q03164 1/20 0.52
▸ ALDH1A1 P00352 1/20 0.52
▸ TDP1 Q9NUW8 1/20 0.52
▸ USP2 O75604 1/20 0.52
▸ LMNA P02545 1/20 0.52
▸ MAPK1 P28482 1/20 0.52
▸ CA1 P00915 9/20 0.47
▸ CA2 P00918 9/20 0.47
▸ ABCC4 O15439 1/20 0.47

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
Potassium Ion SCHEMBL9070343 0.98 GPBAR1 (0.54) GPBAR1SLC10A2TBXA2RPDE3ANR1H4
SCHEMBL9069691 0.98 GPBAR1 (0.54) GPBAR1SLC10A2TBXA2RPDE3ANR1H4
SCHEMBL8669402 0.91 GPBAR1 (0.66) GPBAR1SLC10A2TBXA2RPDE3ANR1H4
Ammonia Solution, Strong SCHEMBL9068975 0.90 GPBAR1 (0.65) GPBAR1SLC10A2TBXA2RPDE3ANR1H4
SCHEMBL9068966 0.90 GPBAR1 (0.53) GPBAR1SLC10A2TBXA2RPDE3ANR1H4
Potassium Ion SCHEMBL9070389 0.88 GPBAR1 (0.53) GPBAR1SLC10A2TBXA2RPDE3ANR1H4
SCHEMBL9069314 0.88 GPBAR1 (0.53) GPBAR1SLC10A2TBXA2RPDE3ANR1H4
SCHEMBL9069260 0.88 ALDH1A1 (0.66) GPBAR1SLC10A2PDE3ANR1H4MEN1
Potassium Ion SCHEMBL9069304 0.86 ALDH1A1 (0.66) GPBAR1SLC10A2PDE3ANR1H4MEN1
SCHEMBL9070035 0.86 ALDH1A1 (0.69) GPBAR1SLC10A2PDE3ANR1H4MEN1

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 15 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20130336955-A1 ANTIMICROBIAL FUSION COMPOUNDS AND USES THEREOF VALIANT BIOPHARMA SDN BHD (MY) 2013-12-19 — — US claimed
US-5578304-A Compositions of digestive enzymes and salts of bile acids and process for preparation thereof DIGESTIVE CARE INC. (US) 1996-11-26 — — US claimed
US-5460812-A Comprising buffer, disintegrant, adhesive polymer and acid resistant polymeric coating; for digestion, liver disorders, cystic fibrosis, dissolving gallstones DIGESTIVE CARE INC. (US) 1995-10-24 — — US claimed
EP-2661451-B1 ANTIMICROBIAL FUSION COMPOUNDS AND USES THEREOF VALIANT BIOPHARMA SDN BHD (MY) 2019-10-09 — — EP disclosed
US-20160068829-A1 ANTIMICROBIAL FUSION COMPOUNDS AND USES THEREOF VALIANT BIOPHARMA SDN BHD (MY) 2016-03-10 — — US disclosed
US-9155800-B2 Antimicrobial fusion compounds and uses thereof VALIANT BIOPHARMA SDN BHD (MY) 2015-10-13 — — US disclosed
US-20150284438-A1 DOSAGE REGIME OF FUSION COMPOUNDS BIOVALENCE SDN. BHD. (MY) 2015-10-08 — — US disclosed
US-20150202250-A1 ANTICANCER TREATMENT BIOVALENCE SDN. BHD. (MY) 2015-07-23 — — US disclosed
EP-2864361-A1 DOSAGE REGIME OF FUSION COMPOUNDS Biovalence Sdn. Bhd. (MY) 2015-04-29 — — EP disclosed
EP-2864362-A1 ANTICANCER TREATMENT Biovalence Sdn. Bhd. (MY) 2015-04-29 — — EP disclosed
WO-2014003536-A9 DOSAGE REGIME OF FUSION COMPOUNDS BIOVALENCE SDN. BHD. (MY) 2014-01-30 — — WO disclosed
WO-2014003537-A1 ANTICANCER TREATMENT BIOVALENCE SDN. BHD. (MY) 2014-01-03 — — WO disclosed
WO-2014003536-A1 DOSAGE REGIME OF FUSION COMPOUNDS BIOVALENCE SDN. BHD. (MY) 2014-01-03 — — WO disclosed
US-20130336955-A1 ANTIMICROBIAL FUSION COMPOUNDS AND USES THEREOF VALIANT BIOPHARMA SDN BHD (MY) 2013-12-19 — — US disclosed
US-5578304-A Compositions of digestive enzymes and salts of bile acids and process for preparation thereof DIGESTIVE CARE INC. (US) 1996-11-26 — — US disclosed