SCHEMBL9787441

SCHEMBL9787441

C=C(CCc1cc(O)c(O)c(O)c1)C(=O)O

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ SELP P16109 8/20 0.45
▸ SELE P16581 7/20 0.45
▸ SELL P14151 7/20 0.45
▸ MAPT P10636 2/20 0.39
▸ KDM4E B2RXH2 1/20 0.39
▸ CA12 O43570 1/20 0.39
▸ ALDH1A1 P00352 1/20 0.39
▸ CA1 P00915 1/20 0.39
▸ CA2 P00918 1/20 0.39
▸ LMNA P02545 1/20 0.39
▸ TP53 P04637 1/20 0.39
▸ CA3 P07451 1/20 0.39
▸ HPGD P15428 1/20 0.39
▸ FUT4 P22083 1/20 0.39
▸ CA4 P22748 1/20 0.39
▸ CA6 P23280 1/20 0.39
▸ DPP4 P27487 1/20 0.39
▸ MAPK1 P28482 1/20 0.39
▸ CA5A P35218 1/20 0.39
▸ SNCA P37840 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
SCHEMBL3383712 0.81 IAPP (0.57) MAPTKDM4EALDH1A1LMNATP53
SCHEMBL5423386 0.81 PTGS1 (0.43) SELPSELESELLCA1CA2
SCHEMBL490873 0.79 KEAP1 (0.52) SELPSELESELLMAPTKDM4E
SCHEMBL5929237 0.78 TRPA1 (0.52) MAPTCA1CA2LMNAGAA
SCHEMBL5421780 0.78 GAA (0.59) MAPTALDH1A1LMNATP53MAPK1
SCHEMBL5929236 0.78 PTPN1 (0.38) MAPTLMNAIAPPL3MBTL1GAA
SCHEMBL1137129 0.74 ESR1 (0.50) MAPTKDM4EALDH1A1CA2LMNA
SCHEMBL9159296 0.74 LCK (0.63) KDM4ECA12ALDH1A1CA1CA2
SCHEMBL31218542 0.74 NPC1 (0.41) SELPSELESELLHPGDMAPK1
SCHEMBL30529 0.74 KEAP1 (0.61) MAPTALDH1A1MAPK1SMN1; SMN2TDP1

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
US-5030666-A Shell-core polymers; adhesives, coatings ROHM AND HAAS COMPANY (US) 1991-07-09 — — US disclosed
US-4791151-A Multilobals ROHM AND HAAS COMPANY (US) 1988-12-13 — — US disclosed
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