SCHEMBL6817463

SCHEMBL6817463

NCC1(CC(=O)O)Cc2cccc(-c3ccccc3)c2C1

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
USP2 O75604 1/20 0.37
ALDH1A1 P00352 1/20 0.37
LMNA P02545 1/20 0.37
CYP1A2 P05177 1/20 0.37
TSHR P16473 1/20 0.37
BLM P54132 1/20 0.37
CACNA2D1 P54289 1/20 0.37
SMN1; SMN2 Q16637 1/20 0.37
ANPEP P15144 2/20 0.36
IL1RN P18510 1/20 0.36
ERAP2 Q6P179 1/20 0.36
ERAP1 Q9NZ08 1/20 0.36
PRCP P42785 1/20 0.35
BCAT2 O15382 1/20 0.34
PNMT P11086 1/20 0.34
PKM P14618 1/20 0.34
KMT2A Q03164 1/20 0.34
PTGS1 P23219 1/20 0.34
ABHD6 Q9BV23 1/20 0.33
PARP10 Q53GL7 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
SCHEMBL6813653 0.87 LMNA (0.42) USP2ALDH1A1LMNACYP1A2TSHR
SCHEMBL6817579 0.84 USP2 (0.36) USP2ALDH1A1LMNACYP1A2TSHR
SCHEMBL6813436 0.83 LMNA (0.41) USP2ALDH1A1LMNACYP1A2TSHR
SCHEMBL6818072 0.82 USP2 (0.48) USP2ALDH1A1LMNACYP1A2TSHR
SCHEMBL6818094 0.82 USP2 (0.40) USP2ALDH1A1LMNACYP1A2TSHR
SCHEMBL6813335 0.82 HTR1A (0.48) USP2ALDH1A1LMNACYP1A2TSHR
SCHEMBL14459076 0.82 ALDH1A1 (0.40) USP2ALDH1A1LMNACYP1A2TSHR
SCHEMBL6817221 0.81 ALDH1A1 (0.39) USP2ALDH1A1LMNACYP1A2TSHR
SCHEMBL6813555 0.81 USP2 (0.39) USP2ALDH1A1LMNACYP1A2TSHR
SCHEMBL6818210 0.81 LMNA (0.39) USP2ALDH1A1LMNACYP1A2TSHR

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