SCHEMBL8623044

SCHEMBL8623044

N#CCOC=C(C(=O)O)c1ccccc1O

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 8/20 0.41
HPGD P15428 7/20 0.41
ALDH1A1 P00352 4/20 0.41
SMN1; SMN2 Q16637 3/20 0.41
CA12 O43570 1/20 0.41
CA1 P00915 1/20 0.41
CA2 P00918 1/20 0.41
HMGB1 P09429 1/20 0.41
CA4 P22748 1/20 0.41
CA6 P23280 1/20 0.41
CA7 P43166 1/20 0.41
CA9 Q16790 1/20 0.41
NAPRT Q6XQN6 1/20 0.41
CA14 Q9ULX7 1/20 0.41
TDP1 Q9NUW8 3/20 0.39
HSD17B10 Q99714 4/20 0.38
ALOX15 P16050 1/20 0.38
TSHR P16473 3/20 0.37
LMNA P02545 2/20 0.37
MAPT P10636 5/20 0.36

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
SCHEMBL8406508 0.85 LMNA (0.44) KDM4EHPGDALDH1A1SMN1; SMN2TDP1
SCHEMBL8080116 0.85 LMNA (0.44) KDM4EHPGDALDH1A1SMN1; SMN2TDP1
SCHEMBL3122885 0.74 LMNA (0.52) KDM4EHPGDALDH1A1SMN1; SMN2CA12
SCHEMBL3122880 0.74 LMNA (0.52) KDM4EHPGDALDH1A1SMN1; SMN2CA12
SCHEMBL4787172 0.74 LMNA (0.52) KDM4EHPGDALDH1A1SMN1; SMN2CA12
SCHEMBL4787174 0.70 HPGD (0.56) KDM4EHPGDALDH1A1SMN1; SMN2CA12
SCHEMBL27782677 0.70 HPGD (0.56) KDM4EHPGDALDH1A1SMN1; SMN2CA12
SCHEMBL28994292 0.67 AKR1C1 (0.60) KDM4EHPGDALDH1A1SMN1; SMN2CA12
SCHEMBL8397874 0.66 HPGD (0.53) KDM4EHPGDALDH1A1SMN1; SMN2CA12
SCHEMBL8397869 0.66 HPGD (0.53) KDM4EHPGDALDH1A1SMN1; SMN2CA12

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
EP-0842146-A1 OXIMETHER AND ACRYLIC ACID DERIVATIVES AND THEIR USE AS FUNGICIDES BAYER AG (DE) 1998-05-20 EP disclosed
WO-1997003950-A1 OXIMETHER AND ACRYLIC ACID DERIVATIVES AND THEIR USE AS FUNGICIDES BAYER AKTIENGESELLSCHAFT (DE) 1997-02-06 WO disclosed