SCHEMBL29173965

SCHEMBL29173965

CCCCOc1cc(C(=O)OO)cc(C(C)(C)C)c1

nearest known ligand 0.47

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
▸ PLA2G2A P14555 1/20 0.47
▸ ESR1 P03372 3/20 0.40
▸ TP53 P04637 1/20 0.40
▸ TSHR P16473 1/20 0.40
▸ NR1I2 O75469 1/20 0.40
▸ MAPT P10636 1/20 0.39
▸ SMN1; SMN2 Q16637 1/20 0.39
▸ STK25 O00506 1/20 0.39
▸ THRB P10828 1/20 0.39
▸ PLA2G4B P0C869 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
SCHEMBL16956273 0.82 PLA2G2A (0.44) PLA2G2ATP53TSHRMAPTSMN1; SMN2
SCHEMBL31144913 0.76 NOTUM (0.58) PLA2G2AMAPT
SCHEMBL18758579 0.76 ESR1 (0.52) PLA2G2AESR1TSHRSMN1; SMN2
SCHEMBL16951560 0.76 PLA2G2A (0.39) PLA2G2ATP53TSHRNR1I2MAPT
SCHEMBL1189821 0.75 MAPT (0.49) MAPTSMN1; SMN2
SCHEMBL29173964 0.75 MAPT (0.48) PLA2G2AESR1TP53MAPT
SCHEMBL31144917 0.74 PLA2G2A (0.47) PLA2G2ATP53TSHR
SCHEMBL1189352 0.74 L3MBTL1 (0.44) PLA2G2AMAPTSMN1; SMN2
SCHEMBL2771698 0.73 MAPT (0.58) PLA2G2AESR1TP53TSHRMAPT
SCHEMBL1205585 0.72 PLA2G2A (0.55) PLA2G2ATP53TSHRPLA2G4B

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-116143610-A Substituent-containing zinc o-hydroxybenzoate complex nanomaterial, preparation method and application thereof 广西科技大学 2023-05-23 — — CN disclosed
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