SCHEMBL29901650

SCHEMBL29901650

O=C(O)c1c(O)c2ccccc2oc1=O

nearest known ligand 0.73

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CA12 O43570 1/20 0.73
CA9 Q16790 1/20 0.73
LMNA P02545 4/20 0.63
HPGD P15428 1/20 0.63
ALDH1A1 P00352 3/20 0.62
KDM4E B2RXH2 3/20 0.62
SMN1; SMN2 Q16637 2/20 0.62
MAPT P10636 1/20 0.62
HTT P42858 3/20 0.60
NQO1 P15559 6/20 0.59
MEN1 O00255 2/20 0.57
TP53 P04637 2/20 0.57
KMT2A Q03164 2/20 0.57
ABCB11 O95342 1/20 0.57
CYP1A2 P05177 1/20 0.57
CYP3A4 P08684 1/20 0.57
CYP2C9 P11712 1/20 0.57
TSHR P16473 1/20 0.57
MAPK1 P28482 1/20 0.57
CYP2C19 P33261 1/20 0.57

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
SCHEMBL1648027 1.00 CA12 (0.73) CA12CA9LMNAHPGDALDH1A1
SCHEMBL10613511 0.86 CA12 (0.69) CA12CA9LMNAHPGDALDH1A1
SCHEMBL1648026 0.86 CA12 (0.58) CA12CA9LMNAHPGDALDH1A1
SCHEMBL7753264 0.85 CA12 (0.57) CA12CA9LMNAHPGDALDH1A1
SCHEMBL2284198 0.84 CA12 (0.71) CA12CA9LMNAHPGDALDH1A1
SCHEMBL30933370 0.84 CA12 (1.00) CA12CA9LMNAHPGDALDH1A1
SCHEMBL3527681 0.84 CA12 (1.00) CA12CA9LMNAHPGDALDH1A1
SCHEMBL29120211 0.83 ALDH1A1 (0.54) CA12CA9LMNAHPGDALDH1A1
SCHEMBL29120263 0.82 CA12 (0.54) CA12CA9LMNAHPGDALDH1A1
SCHEMBL26981030 0.82 ALDH1A1 (0.53) CA12CA9LMNAHPGDALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-4138941-A1 NEW COUMARIN-POLYMER CONJUGATES AND USES THEREOF Onyel Biotech S.r.l. (IT) 2023-03-01 EP disclosed
WO-2022186388-A1 TEST SUBSTANCE DETECTION METHOD, DETECTION AGENT COMPOSITION, DETECTION APPARATUS, PURIFIED WATER PRODUCTION FACILITY, INJECTION WATER PRODUCTION FACILITY, PURIFIED WATER PRODUCTION METHOD AND INJECTION WATER PRODUCTION METHOD 野村マイクロ・サイエンス株式会社 2022-09-09 WO disclosed