SCHEMBL7764856

SCHEMBL7764856

CCCCC(N)C1(CC(=O)O)CCCCC1

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SLC1A2 P43004 2/20 0.40
SLC1A1 P43005 2/20 0.40
SLC1A3 P43003 1/20 0.40
ALDH1A1 P00352 2/20 0.40
USP2 O75604 1/20 0.40
LMNA P02545 1/20 0.40
CYP1A2 P05177 1/20 0.40
TSHR P16473 1/20 0.40
BLM P54132 1/20 0.40
CACNA2D1 P54289 1/20 0.40
SMN1; SMN2 Q16637 1/20 0.40
SLC6A4 P31645 2/20 0.39
SLC6A3 Q01959 2/20 0.39
CA2 P00918 4/20 0.38
CYP2C19 P33261 1/20 0.38
MAPK1 P28482 1/20 0.38
CA1 P00915 2/20 0.37
GRIK1 P39086 2/20 0.36
GRIK2 Q13002 2/20 0.36
METAP1 P53582 1/20 0.33

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
SCHEMBL7770587 0.90 ALDH1A1 (0.42) SLC1A2SLC1A1SLC1A3ALDH1A1USP2
Hydrochloric Acid SCHEMBL7764804 0.89 ALDH1A1 (0.41) SLC1A2SLC1A1SLC1A3ALDH1A1USP2
SCHEMBL7772817 0.83 CYP1A2 (0.44) ALDH1A1USP2LMNACYP1A2TSHR
Hydrochloric Acid SCHEMBL7764823 0.81 CYP1A2 (0.43) ALDH1A1USP2LMNACYP1A2TSHR
SCHEMBL10488668 0.81 CA2 (0.42) SLC1A2SLC1A1SLC1A3ALDH1A1USP2
SCHEMBL5608513 0.75 CYP1A2 (0.47) ALDH1A1USP2LMNACYP1A2TSHR
SCHEMBL7770551 0.73 CYP1A2 (0.44) ALDH1A1USP2LMNACYP1A2TSHR
SCHEMBL7768488 0.73 CYP1A2 (0.44) ALDH1A1USP2LMNACYP1A2TSHR
SCHEMBL7770014 0.72 TSHR (0.41) ALDH1A1USP2LMNACYP1A2TSHR
Hydrochloric Acid SCHEMBL7764822 0.71 CYP1A2 (0.43) ALDH1A1USP2LMNACYP1A2TSHR

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1157000-A1 BRANCHED CHAIN AMINO ACID-DEPENDENT AMINOTRANSFERASE INHIBITORS AND THEIR USE IN THE TREATMENT OF DIABETIC RETINOPATHY WARNER-LAMBERT COMPANY (US) 2001-11-28 EP claimed
WO-2001042191-A1 BRANCHED CHAIN AMINO ACID-DEPENDENT AMINOTRANSFERASE INHIBITORS AND THEIR USE IN THE TREATMENT OF DIABETIC RETINOPATHY WARNER-LAMBERT COMPANY (US) 2001-06-14 WO claimed
EP-1157000-A1 BRANCHED CHAIN AMINO ACID-DEPENDENT AMINOTRANSFERASE INHIBITORS AND THEIR USE IN THE TREATMENT OF DIABETIC RETINOPATHY WARNER-LAMBERT COMPANY (US) 2001-11-28 EP disclosed
WO-2001042191-A1 BRANCHED CHAIN AMINO ACID-DEPENDENT AMINOTRANSFERASE INHIBITORS AND THEIR USE IN THE TREATMENT OF DIABETIC RETINOPATHY WARNER-LAMBERT COMPANY (US) 2001-06-14 WO disclosed