SCHEMBL6380895

SCHEMBL6380895

CCCC1CCC(CN)(CC(=O)O)CC1

nearest known ligand 0.53

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 3/20 0.53
CYP1A2 P05177 2/20 0.53
LMNA P02545 2/20 0.53
USP2 O75604 1/20 0.53
TSHR P16473 1/20 0.53
BLM P54132 1/20 0.53
CACNA2D1 P54289 1/20 0.53
SMN1; SMN2 Q16637 1/20 0.53
CYP2C9 P11712 1/20 0.35
MAPT P10636 2/20 0.33
KMT2A Q03164 1/20 0.30
ARG1 P05089 1/20 0.30
ARG2 P78540 1/20 0.30

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
SCHEMBL5909495 0.90 CYP1A2 (0.46) ALDH1A1CYP1A2LMNAUSP2TSHR
SCHEMBL5909494 0.90 CYP1A2 (0.46) ALDH1A1CYP1A2LMNAUSP2TSHR
SCHEMBL14533608 0.90 CYP1A2 (0.50) ALDH1A1CYP1A2LMNAUSP2TSHR
Hydrochloric Acid SCHEMBL5909535 0.89 CYP1A2 (0.45) ALDH1A1CYP1A2LMNAUSP2TSHR
Hydrochloric Acid SCHEMBL5909536 0.89 CYP1A2 (0.45) ALDH1A1CYP1A2LMNAUSP2TSHR
SCHEMBL6377787 0.86 CYP1A2 (0.56) ALDH1A1CYP1A2LMNAUSP2TSHR
SCHEMBL22471794 0.82 CYP1A2 (0.33) ALDH1A1CYP1A2LMNACYP2C9MAPT
SCHEMBL31061351 0.81 CYP1A2 (0.44) ALDH1A1CYP1A2LMNAUSP2TSHR
SCHEMBL2148374 0.80 CYP1A2 (0.40) ALDH1A1CYP1A2LMNAUSP2TSHR
SCHEMBL5439992 0.80 CYP1A2 (0.49) ALDH1A1CYP1A2LMNAUSP2TSHR

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1157000-B1 BRANCHED CHAIN AMINO ACID-DEPENDENT AMINOTRANSFERASE INHIBITORS AND THEIR USE IN THE TREATMENT OF DIABETIC RETINOPATHY WARNER LAMBERT CO (US) 2005-11-02 EP 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 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-B1 BRANCHED CHAIN AMINO ACID-DEPENDENT AMINOTRANSFERASE INHIBITORS AND THEIR USE IN THE TREATMENT OF DIABETIC RETINOPATHY WARNER LAMBERT CO (US) 2005-11-02 EP disclosed
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