SCHEMBL11320985

SCHEMBL11320985

CCC(C(CC)=C1Sc2ccccc2N1CC)=C(C(=O)O)C(=O)O

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ MAPT P10636 8/20 0.49
▸ ALDH1A1 P00352 7/20 0.49
▸ HTT P42858 2/20 0.49
▸ HPGD P15428 2/20 0.49
▸ POLB P06746 3/20 0.45
▸ MEN1 O00255 7/20 0.43
▸ KMT2A Q03164 7/20 0.43
▸ USP2 O75604 3/20 0.43
▸ CRHBP P24387 2/20 0.43
▸ CRHR2 Q13324 2/20 0.43
▸ IDE P14735 1/20 0.43
▸ LMNA P02545 1/20 0.43
▸ RAB9A P51151 3/20 0.40
▸ TP53 P04637 2/20 0.40
▸ HSD17B10 Q99714 2/20 0.40
▸ KDM4E B2RXH2 1/20 0.40
▸ ALOX15 P16050 1/20 0.40
▸ ALOX12 P18054 1/20 0.40
▸ CASP1 P29466 1/20 0.40
▸ NPC1 O15118 2/20 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
SCHEMBL13825587 0.82 MAPT (0.51) MAPTALDH1A1HTTHPGDPOLB
SCHEMBL14020314 0.77 BCHE (0.50) MAPTALDH1A1HTTHPGDPOLB
Propionic Acid SCHEMBL8502344 0.74 MEN1 (0.63) MAPTALDH1A1HTTHPGDPOLB
SCHEMBL13750359 0.74 MAPT (0.51) MAPTALDH1A1HTTHPGDPOLB
SCHEMBL11593986 0.72 MEN1 (0.52) MAPTALDH1A1HTTHPGDPOLB
SCHEMBL20462345 0.71 ALDH1A1 (0.54) MAPTALDH1A1HTTHPGDPOLB
SCHEMBL13647978 0.69 MAPT (0.49) MAPTALDH1A1HTTHPGDPOLB
SCHEMBL13750352 0.68 BCHE (0.52) MAPTALDH1A1HTTHPGDPOLB
SCHEMBL29557425 0.68 KDM1A (0.61) MAPTALDH1A1HTTHPGDKMT2A
SCHEMBL293951 0.68 KDM1A (0.61) MAPTALDH1A1HTTHPGDKMT2A

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-4304769-A PESTICIDES EASTMAN KODAK COMPANY (US) 1981-12-08 — — US disclosed
US-4199363-A Processes for achieving uniform, efficient distribution of hydrophobic materials through hydrophilic colloid layers and loaded latex compositions EASTMAN KODAK COMPANY (US) 1980-04-22 — — US disclosed
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