SCHEMBL31331773

SCHEMBL31331773

Cc1cccc(-c2cc(CO)oc2C=O)c1

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CA12 O43570 2/20 0.41
CA9 Q16790 2/20 0.41
MAOB P27338 2/20 0.40
SLC9A1 P19634 1/20 0.36
RXRA P19793 2/20 0.36
RXRB P28702 2/20 0.36
RXRG P48443 2/20 0.36
NR4A2 P43354 1/20 0.36
CNR2 P34972 1/20 0.36
MAPT P10636 1/20 0.36
TSHR P16473 2/20 0.36
ALDH1A1 P00352 1/20 0.36
HPGD P15428 2/20 0.36
NPC1 O15118 1/20 0.36
RAB9A P51151 1/20 0.36
SMN1; SMN2 Q16637 1/20 0.36
NOTUM Q6P988 1/20 0.35
ALOX15 P16050 1/20 0.35
ALOX12 P18054 1/20 0.35
ESR1 P03372 1/20 0.35

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
SCHEMBL31331807 0.85 ALDH1A1 (0.42) CA12CA9MAOBMAPTTSHR
SCHEMBL12876551 0.80 MAOB (0.41) CA12CA9MAOBSLC9A1RXRA
SCHEMBL31331625 0.71 ALDH1A1 (0.42) TSHRALDH1A1SMN1; SMN2KDM4E
SCHEMBL12876582 0.70 ALDH1A1 (0.65) SLC9A1MAPTTSHRALDH1A1HPGD
SCHEMBL12377850 0.66 NPC1 (0.49) RXRARXRBRXRGNR4A2MAPT
SCHEMBL6838819 0.66 MAOB (0.42) CA12CA9MAOBSLC9A1CNR2
SCHEMBL307118 0.65 ALDH1A1 (0.45) MAOBCNR2MAPTTSHRALDH1A1
SCHEMBL30859521 0.65 PDCD1 (0.59) CA12CA9CNR2
SCHEMBL3859904 0.65 PDCD1 (0.59) CA12CA9CNR2
SCHEMBL30405426 0.65 MAOB (0.44) CA12CA9MAOBCNR2MAPT

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-119192159-A Novel furan structure bio-based Schiff base epoxy resin and preparation method thereof 北京化工大学 2024-12-27 CN claimed
CN-119192159-A Novel furan structure bio-based Schiff base epoxy resin and preparation method thereof 北京化工大学 2024-12-27 CN disclosed