SCHEMBL9013036

SCHEMBL9013036

COc1cc(C=CC(=O)O)ccc1OC1CCCCO1

nearest known ligand 0.85

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 5/20 0.60
ALDH1A1 P00352 3/20 0.60
HPGD P15428 1/20 0.60
ALOX15 P16050 1/20 0.60
MAPK1 P28482 1/20 0.60
SMN1; SMN2 Q16637 1/20 0.60
HSD17B10 Q99714 1/20 0.60
PDE4B Q07343 1/20 0.53
SNCA P37840 2/20 0.51
CA12 O43570 1/20 0.51
CA1 P00915 1/20 0.51
CA2 P00918 1/20 0.51
CA3 P07451 1/20 0.51
PKM P14618 1/20 0.51
CSNK2A2 P19784 1/20 0.51
CA4 P22748 1/20 0.51
CA6 P23280 1/20 0.51
CA5A P35218 1/20 0.51
CA7 P43166 1/20 0.51
CSNK2B P67870 1/20 0.51

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
SCHEMBL30531894 1.00 KDM4E (0.60) KDM4EALDH1A1HPGDALOX15MAPK1
SCHEMBL24367560 1.00 KDM4E (0.60) KDM4EALDH1A1HPGDALOX15MAPK1
SCHEMBL17754256 0.93 PDE4B (0.49) KDM4EALDH1A1HPGDALOX15MAPK1
SCHEMBL26669477 0.91 NFE2L2 (0.62) KDM4EALDH1A1HPGDALOX15MAPK1
SCHEMBL29503029 0.91 NFE2L2 (0.62) KDM4EALDH1A1HPGDALOX15MAPK1
SCHEMBL9972303 0.89 HDAC1 (0.55) KDM4EALDH1A1HPGDALOX15MAPK1
SCHEMBL10558585 0.89 PDE4B (0.54) KDM4EALDH1A1HPGDALOX15MAPK1
SCHEMBL20117563 0.89 KMT2A (0.54) KDM4EALDH1A1HPGDALOX15MAPK1
SCHEMBL16093046 0.88 NPC1 (0.57) PDE4BCA1CA2KMT2APTPN1
SCHEMBL30382140 0.88 NPC1 (0.57) PDE4BCA1CA2KMT2APTPN1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-116600830-A Conjugated TLR7 and NOD2 agonists 卢布尔雅那大学 2023-08-15 CN disclosed
EP-0528699-B1 Saishin N derivatives, process for their preparation and anti-ulcer agents containing them TOKYO TANABE CO (JP) 1996-11-06 EP disclosed
EP-0528699-A2 Saishin N derivatives, process for their preparation and anti-ulcer agents containing them TOKYO TANABE COMPANY LIMITED (JP) 1993-02-24 EP disclosed