SCHEMBL13614197

SCHEMBL13614197

CCc1c[nH]c(C(=O)O)c1

nearest known ligand 0.54

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
DAO P14920 1/20 0.54
TDP1 Q9NUW8 1/20 0.47
RAB9A P51151 3/20 0.46
GAA P10253 1/20 0.46
CA12 O43570 1/20 0.44
ALPL P05186 1/20 0.44
CA9 Q16790 1/20 0.44
ALDH1A1 P00352 3/20 0.42
SMN1; SMN2 Q16637 2/20 0.42
NOTUM Q6P988 2/20 0.42
NPC1 O15118 1/20 0.40
HSP90AA1 P07900 1/20 0.40
PKM P14618 1/20 0.40
BAZ2B Q9UIF8 1/20 0.40
BAZ2A Q9UIF9 1/20 0.40
RXRA P19793 1/20 0.39
RXRB P28702 1/20 0.39
HCAR2 Q8TDS4 1/20 0.36

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
SCHEMBL9336171 0.85 BAZ2B (0.41) DAOTDP1GAACA12ALPL
SCHEMBL6899153 0.84 DAO (0.60) DAOTDP1RAB9AGAACA12
SCHEMBL31521725 0.82 RAB9A (0.44) DAORAB9AGAAALDH1A1SMN1; SMN2
SCHEMBL4544349 0.80 BAZ2B (0.62) GAAALDH1A1BAZ2BBAZ2A
SCHEMBL13614337 0.80 DAO (0.47) DAOTDP1RAB9AGAACA12
SCHEMBL5858576 0.80 DAO (0.55) DAOALDH1A1HCAR2
SCHEMBL10944620 0.79 SMN1; SMN2 (0.36) DAOCA12ALPLCA9ALDH1A1
SCHEMBL2919651 0.79 DAO (0.54) DAOTDP1RAB9AGAACA12
SCHEMBL875351 0.79 DAO (0.54) DAOTDP1RAB9AGAACA12
SCHEMBL23952165 0.79 GAA (0.55) DAOGAAALDH1A1PKMBAZ2B

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3027754-A1 PROCESSES AND HOST CELLS FOR GENOME, PATHWAY, AND BIOMOLECULAR ENGINEERING enEvolv, Inc. (US) 2016-06-08 EP disclosed
WO-2015017866-A1 PROCESSES AND HOST CELLS FOR GENOME, PATHWAY, AND BIOMOLECULAR ENGINEERING ENEVOLV, INC. (US) 2015-02-05 WO disclosed
EP-1432700-B1 SPIRO-HYDANTOIN COMPOUNDS USEFUL AS ANTI-INFLAMMATORY AGENTS BRISTOL MYERS SQUIBB CO (US) 2009-11-04 EP disclosed