SCHEMBL6813653

SCHEMBL6813653

NCC1(CC(=O)O)Cc2c(-c3ccccc3)ccc(-c3ccccc3)c2C1

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LMNA P02545 2/20 0.42
TSHR P16473 2/20 0.42
USP2 O75604 1/20 0.42
ALDH1A1 P00352 1/20 0.42
CYP1A2 P05177 1/20 0.42
BLM P54132 1/20 0.42
CACNA2D1 P54289 1/20 0.42
SMN1; SMN2 Q16637 1/20 0.42
PTGS1 P23219 2/20 0.38
GAA P10253 2/20 0.36
ABCC4 O15439 1/20 0.36
HTT P42858 1/20 0.36
BCAT2 O15382 1/20 0.35
KMT2A Q03164 2/20 0.35
PKM P14618 1/20 0.35
PTGDR2 Q9Y5Y4 1/20 0.33
DPP4 P27487 1/20 0.33
HSD11B1 P28845 1/20 0.33
FOLH1 Q04609 1/20 0.33
AKR1B1 P15121 1/20 0.32

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
SCHEMBL6817463 0.87 USP2 (0.37) LMNATSHRUSP2ALDH1A1CYP1A2
SCHEMBL6817579 0.85 USP2 (0.36) LMNATSHRUSP2ALDH1A1CYP1A2
SCHEMBL6813436 0.83 LMNA (0.41) LMNATSHRUSP2ALDH1A1CYP1A2
SCHEMBL6818072 0.78 USP2 (0.48) LMNATSHRUSP2ALDH1A1CYP1A2
SCHEMBL6821612 0.76 ALDH1A1 (0.46) LMNATSHRUSP2ALDH1A1CYP1A2
SCHEMBL6813342 0.76 ALDH1A1 (0.46) LMNATSHRUSP2ALDH1A1CYP1A2
SCHEMBL6818099 0.76 ALDH1A1 (0.46) LMNATSHRUSP2ALDH1A1CYP1A2
SCHEMBL6817244 0.75 LMNA (0.40) LMNATSHRUSP2ALDH1A1CYP1A2
SCHEMBL6818069 0.73 ALDH1A1 (0.44) LMNATSHRUSP2ALDH1A1CYP1A2
SCHEMBL6818094 0.73 USP2 (0.40) LMNATSHRUSP2ALDH1A1CYP1A2

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-1180094-B1 FUSED POLYCYCLIC AMINO ACIDS AS PHARMACEUTICAL AGENTS WARNER LAMBERT CO (US) 2004-07-28 EP claimed
EP-1180094-B1 FUSED POLYCYCLIC AMINO ACIDS AS PHARMACEUTICAL AGENTS WARNER LAMBERT CO (US) 2004-07-28 EP disclosed
EP-1180094-A1 FUSED POLYCYCLIC AMINO ACIDS AS PHARMACEUTICAL AGENTS WARNER-LAMBERT COMPANY (US) 2002-02-20 EP disclosed
WO-2000073259-A1 FUSED POLYCYCLIC AMINO ACIDS AS PHARMACEUTICAL AGENTS WARNER-LAMBERT COMPANY (US) 2000-12-07 WO disclosed