SCHEMBL30782018

SCHEMBL30782018

Cc1cc(C(=O)O)ccc1C(=O)O.c1ccc(-c2cc3[nH]c4ccccc4c3cc2-c2ccccc2)cc1

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PARP1 P09874 1/20 0.45
KDM4E B2RXH2 5/20 0.44
KMT2A Q03164 4/20 0.44
MAPT P10636 4/20 0.44
ALDH1A1 P00352 3/20 0.44
SMN1; SMN2 Q16637 3/20 0.44
MEN1 O00255 3/20 0.44
RAB9A P51151 3/20 0.44
KIF11 P52732 2/20 0.44
HCRTR1 O43613 1/20 0.44
PPARG P37231 1/20 0.44
GABRP O00591 1/20 0.41
GABRD O14764 1/20 0.41
GABRA1 P14867 1/20 0.41
GABRB1 P18505 1/20 0.41
GABRG2 P18507 1/20 0.41
GABRB3 P28472 1/20 0.41
GABRA5 P31644 1/20 0.41
GABRA3 P34903 1/20 0.41
GABRA2 P47869 1/20 0.41

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
Carbazole SCHEMBL30782017 0.88 PARP1 (0.51) PARP1KDM4EKMT2AMAPTALDH1A1
Terephthalic Acid SCHEMBL29145296 0.87 PARP1 (0.50) PARP1KDM4EKMT2AMAPTALDH1A1
SCHEMBL30782014 0.82 KDM4E (0.58) PARP1KDM4EKMT2AMAPTALDH1A1
SCHEMBL30782015 0.82 KIF11 (0.52) PARP1KDM4EKMT2AMAPTALDH1A1
SCHEMBL30782016 0.81 PARP1 (0.43) PARP1KDM4EKMT2AMAPTALDH1A1
SCHEMBL29145287 0.81 KIF11 (0.64) PARP1KDM4EKMT2AMAPTALDH1A1
SCHEMBL24723506 0.78 AHR (0.65) KDM4EMAPTALDH1A1SMN1; SMN2KIF11
SCHEMBL28000484 0.76 PARP14 (0.46) KMT2AMAPTSMN1; SMN2MEN1RAB9A
SCHEMBL24727372 0.75 AHR (0.57) KDM4EKMT2AMAPTALDH1A1SMN1; SMN2
SCHEMBL23615728 0.75 KDM4E (0.57) KDM4EKMT2AMAPTALDH1A1SMN1; SMN2

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
CN-117477036-B Additive, electrolyte and lithium ion battery 蓝固(淄博)新能源科技有限公司 2024-03-05 CN claimed
CN-117477036-A Additive, electrolyte and lithium ion battery 蓝固(淄博)新能源科技有限公司 2024-01-30 CN claimed
CN-117477036-B Additive, electrolyte and lithium ion battery 蓝固(淄博)新能源科技有限公司 2024-03-05 CN disclosed
CN-117477036-A Additive, electrolyte and lithium ion battery 蓝固(淄博)新能源科技有限公司 2024-01-30 CN disclosed