SCHEMBL9757028

SCHEMBL9757028

O=C(O)C=Cc1ccc(OCc2ccccc2)nc1

nearest known ligand 0.58

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 2/20 0.58
ALDH1A1 P00352 1/20 0.58
PKM P14618 1/20 0.58
PTGER1 P34995 1/20 0.56
PTGER4 P35408 1/20 0.56
PTGER3 P43115 1/20 0.56
PTGER2 P43116 1/20 0.56
LMNA P02545 2/20 0.55
GSK3B P49841 3/20 0.54
BACE1 P56817 3/20 0.54
P4HTM Q9NXG6 1/20 0.53
AKR1C3 P42330 1/20 0.51
ABCG2 Q9UNQ0 1/20 0.48
TBXAS1 P24557 1/20 0.48
RAB9A P51151 1/20 0.48
CA12 O43570 1/20 0.48
AKR1B10 O60218 1/20 0.48
AKR1B1 P15121 1/20 0.48
CA4 P22748 1/20 0.48
CA6 P23280 1/20 0.48

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
SCHEMBL9757027 1.00 KDM4E (0.58) KDM4EALDH1A1PKMPTGER1PTGER4
SCHEMBL3095019 0.89 GSK3B (0.51) KDM4EALDH1A1PKMLMNAGSK3B
SCHEMBL3095033 0.89 GSK3B (0.51) KDM4EALDH1A1PKMLMNAGSK3B
SCHEMBL15239271 0.84 GSK3B (0.48) KDM4EALDH1A1PKMLMNAGSK3B
SCHEMBL15239275 0.84 GSK3B (0.48) KDM4EALDH1A1PKMLMNAGSK3B
SCHEMBL3688515 0.84 CA12 (0.55) KDM4ELMNAGSK3BBACE1RAB9A
SCHEMBL3688513 0.84 CA12 (0.55) KDM4ELMNAGSK3BBACE1RAB9A
SCHEMBL3179345 0.81 SRD5A2 (0.56) KDM4EALDH1A1PKMLMNAP4HTM
SCHEMBL3179354 0.81 SRD5A2 (0.56) KDM4EALDH1A1PKMLMNAP4HTM
SCHEMBL15177143 0.80 AKT1 (0.48) PKMGSK3BBACE1RAB9AFFAR1

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-5039684-A Absorption when administered orally VALEAS S. P. A. (IT) 1991-08-13 US disclosed
EP-0384450-A1 Tetrazole amide derivatives of heterocyclic alkenyl acids and their use as antiallergic substances VALEAS S.p.A. INDUSTRIA CHIMICA E FARMACEUTICA (IT) 1990-08-29 EP disclosed