SCHEMBL9564247

SCHEMBL9564247

C=C(COCC(=C)C(=O)Oc1ccc(C)cc1)C(=O)O

nearest known ligand 0.44

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
LMNA P02545 2/20 0.44
GAA P10253 1/20 0.42
L3MBTL1 Q9Y468 3/20 0.39
ELANE P08246 1/20 0.39
CYP1A2 P05177 1/20 0.38
CYP2C9 P11712 1/20 0.38
CYP2C19 P33261 1/20 0.38
ALDH1A1 P00352 1/20 0.37
KMT2A Q03164 1/20 0.37
NPC1 O15118 1/20 0.37
TDP1 Q9NUW8 1/20 0.37
MAPT P10636 1/20 0.36
HPGD P15428 1/20 0.36
CTBP2 P56545 1/20 0.35

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
SCHEMBL9564307 0.85 ELANE (0.41) L3MBTL1ELANECYP1A2CYP2C19ALDH1A1
SCHEMBL352678 0.82 LMNA (0.42) LMNAGAAL3MBTL1ELANECYP1A2
SCHEMBL1520832 0.80 ELANE (0.45) L3MBTL1ELANEALDH1A1KMT2ATDP1
SCHEMBL9564269 0.78 THRB (0.54) LMNAALDH1A1KMT2AMAPT
SCHEMBL11072974 0.78 L3MBTL1 (0.53) LMNAGAAL3MBTL1ALDH1A1KMT2A
SCHEMBL5078367 0.78 LMNA (0.52) LMNAGAAL3MBTL1ELANECYP1A2
Hydrochloric Acid SCHEMBL11071528 0.77 L3MBTL1 (0.51) LMNAGAAL3MBTL1ALDH1A1KMT2A
SCHEMBL27571270 0.76 LMNA (0.53) LMNAGAAL3MBTL1ELANECYP1A2
SCHEMBL28239966 0.76 LMNA (0.57) LMNAGAAL3MBTL1ELANECYP1A2
SCHEMBL27568757 0.75 LMNA (0.61) LMNAGAAL3MBTL1CYP1A2CYP2C9

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0548736-A1 Process for the preparation of oxadimethacrylic compounds BASF Aktiengesellschaft (DE) 1993-06-30 EP disclosed