SCHEMBL9214778

SCHEMBL9214778

COC(=O)/C=C(/OC)c1cccc2ccc(-c3ccccc3)cc12

nearest known ligand 0.44

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
NR4A2 P43354 4/20 0.44
ALDH1A1 P00352 1/20 0.42
HPGD P15428 1/20 0.42
SMN1; SMN2 Q16637 1/20 0.42
MTNR1A P48039 2/20 0.41
SLC6A2 P23975 1/20 0.40
SLC6A4 P31645 1/20 0.40
SLC6A3 Q01959 1/20 0.40
PLAU P00749 3/20 0.39
MTNR1B P49286 1/20 0.38
DHODH Q02127 1/20 0.36
EGFR P00533 1/20 0.36
BACE1 P56817 1/20 0.36
NR4A1 P22736 1/20 0.36
NR4A3 Q92570 1/20 0.36
AKR1C2 P52895 1/20 0.36
SIRT2 Q8IXJ6 1/20 0.36
PLK1 P53350 1/20 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
SCHEMBL8949014 0.91 NR4A2 (0.43) NR4A2ALDH1A1HPGDSMN1; SMN2MTNR1A
SCHEMBL8949021 0.91 NR4A2 (0.43) NR4A2ALDH1A1HPGDSMN1; SMN2MTNR1A
SCHEMBL8949018 0.91 NR4A2 (0.43) NR4A2ALDH1A1HPGDSMN1; SMN2MTNR1A
SCHEMBL9218125 0.83 MTNR1A (0.44) NR4A2MTNR1APLAUPLK1
SCHEMBL9222769 0.82 MTNR1A (0.43) NR4A2MTNR1APLAUMTNR1BPLK1
SCHEMBL9213636 0.82 MTNR1A (0.43) NR4A2MTNR1APLAUMTNR1BPLK1
SCHEMBL9222166 0.80 MRGPRX4 (0.42) SMN1; SMN2
SCHEMBL9213563 0.80 MRGPRX4 (0.42) SMN1; SMN2
SCHEMBL10552187 0.76 NR4A2 (0.41) NR4A2ALDH1A1HPGDSMN1; SMN2MTNR1A
SCHEMBL10552181 0.76 NR4A2 (0.41) NR4A2ALDH1A1HPGDSMN1; SMN2MTNR1A

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-0525516-B1 Derivatives of beta substituted cinnomic acid BASF AG (DE) 1995-09-27 EP disclosed
EP-0525516-A2 Derivatives of beta substituted cinnomic acid BASF Aktiengesellschaft (DE) 1993-02-03 EP disclosed