SCHEMBL28032024

SCHEMBL28032024

NCc1cc(Oc2cc(CN)cc(C(=O)O)c2)cc(C(=O)O)c1

nearest known ligand 0.46

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
LOXL2 Q9Y4K0 6/20 0.46
ST14 Q9Y5Y6 4/20 0.44
MEN1 O00255 2/20 0.44
KMT2A Q03164 2/20 0.44
AKR1C3 P42330 1/20 0.43
PARP15 Q460N3 1/20 0.40
PARP10 Q53GL7 1/20 0.40
PRSS1 P07477 1/20 0.40
PRSS2 P07478 1/20 0.40
PRSS3 P35030 1/20 0.40
SRD5A2 P31213 1/20 0.40
PLAU P00749 2/20 0.39
PLA2G2A P14555 1/20 0.39

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
SCHEMBL12480647 0.85 RXRA (0.46) LOXL2MEN1KMT2APLA2G2A
SCHEMBL7518116 0.83 LOXL2 (0.44) LOXL2MEN1KMT2APLAU
SCHEMBL934326 0.83 LOXL2 (0.44) LOXL2PLAU
Hydrochloric Acid SCHEMBL22400384 0.81 LOXL2 (0.43) LOXL2PLAU
Hydrochloric Acid SCHEMBL9139047 0.81 LOXL2 (0.43) LOXL2PLAU
SCHEMBL28032021 0.81 RXRA (0.49) MEN1KMT2AAKR1C3SRD5A2PLA2G2A
SCHEMBL29503492 0.77 MEN1 (0.58) ST14MEN1KMT2AAKR1C3PARP15
SCHEMBL7770944 0.76 KDM4E (0.44) LOXL2MEN1KMT2APLAU
SCHEMBL26559062 0.74 RXRA (0.55) LOXL2
SCHEMBL15888156 0.74 HCAR1 (0.53) LOXL2

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
CN-104968704-B Process for producing polyarylate 三菱瓦斯化学株式会社 2016-12-14 CN disclosed
CN-104968704-A Process for producing polyarylate MITSUBISHI GAS CHEMICAL CO 2015-10-07 CN disclosed