SCHEMBL8003045

SCHEMBL8003045

C=CCCCCCCCCC(=O)Oc1ccccc1.[NaH]

nearest known ligand 0.55

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
PRSS1 P07477 1/20 0.55
PRSS2 P07478 1/20 0.55
PRSS3 P35030 1/20 0.55
ALDH1A1 P00352 4/20 0.51
LMNA P02545 1/20 0.51
KMT2A Q03164 3/20 0.49
MAPT P10636 2/20 0.49
ABCC4 O15439 1/20 0.49
EGFR P00533 1/20 0.47
ERBB2 P04626 1/20 0.47
L3MBTL1 Q9Y468 1/20 0.42
HPGD P15428 1/20 0.40
CYP19A1 P11511 1/20 0.40
POLB P06746 1/20 0.39
ZDHHC2 Q9UIJ5 1/20 0.39
HDAC1 Q13547 1/20 0.39
HDAC2 Q92769 1/20 0.39

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
SCHEMBL7587172 0.98 PRSS1 (0.56) PRSS1PRSS2PRSS3ALDH1A1LMNA
SCHEMBL24565376 0.98 PRSS1 (0.56) PRSS1PRSS2PRSS3ALDH1A1LMNA
SCHEMBL10952993 0.97 PRSS1 (0.54) PRSS1PRSS2PRSS3ALDH1A1LMNA
SCHEMBL6536709 0.92 PRSS1 (0.51) PRSS1PRSS2PRSS3ALDH1A1LMNA
SCHEMBL30977005 0.91 LMNA (0.67) PRSS1PRSS2PRSS3ALDH1A1LMNA
SCHEMBL28433913 0.87 ESR1 (0.48) PRSS1PRSS2PRSS3ALDH1A1LMNA
SCHEMBL114036 0.85 PRSS1 (0.46) PRSS1PRSS2PRSS3ALDH1A1LMNA
SCHEMBL20564639 0.85 PRSS1 (0.70) PRSS1PRSS2PRSS3ALDH1A1LMNA
SCHEMBL21879662 0.85 PRSS1 (0.70) PRSS1PRSS2PRSS3ALDH1A1LMNA
SCHEMBL43568 0.85 PRSS1 (0.70) PRSS1PRSS2PRSS3ALDH1A1LMNA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1011609-A4 COMPOSITIONS FOR COSMETIC APPLICATIONS MEDLOGIC GLOBAL CORP (US) 2000-08-16 EP disclosed
EP-1011609-A1 COMPOSITIONS FOR COSMETIC APPLICATIONS MedLogic Global Corporation (US) 2000-06-28 EP disclosed
WO-1998048768-A9 COMPOSITIONS FOR COSMETIC APPLICATIONS MEDLOGIC GLOBAL CORP (US) 1999-03-25 WO disclosed
WO-1998050005-A1 COMPOSITIONS FOR COSMETIC APPLICATIONS MEDLOGIC GLOBAL CORPORATION (US) 1998-11-12 WO disclosed