SCHEMBL4167262

SCHEMBL4167262

CCCCC(CC)CCCCCCCCCOC(=O)c1ccccc1O

nearest known ligand 0.74

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
LMNA P02545 2/20 0.74
PRSS1 P07477 1/20 0.62
PRSS2 P07478 1/20 0.62
PRSS3 P35030 1/20 0.62
ALDH1A1 P00352 6/20 0.61
CYP3A4 P08684 3/20 0.61
CA2 P00918 1/20 0.61
TSHR P16473 4/20 0.61
TDP1 Q9NUW8 3/20 0.60
MAPK1 P28482 2/20 0.58
TP53 P04637 1/20 0.58
L3MBTL1 Q9Y468 2/20 0.56
HSD17B10 Q99714 2/20 0.54
KDM4E B2RXH2 1/20 0.54
POLB P06746 1/20 0.54

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
SCHEMBL28646652 0.95 LMNA (0.78) LMNAPRSS1PRSS2PRSS3ALDH1A1
SCHEMBL1604877 0.92 ALDH1A1 (0.68) LMNAPRSS1PRSS2PRSS3ALDH1A1
SCHEMBL2367165 0.92 ALDH1A1 (0.68) LMNAPRSS1PRSS2PRSS3ALDH1A1
Octisalate SCHEMBL6023812 0.91 LMNA (0.86) LMNAPRSS1PRSS2PRSS3ALDH1A1
Ammonia Solution, Strong SCHEMBL2367373 0.91 ALDH1A1 (0.67) LMNAPRSS1PRSS2PRSS3ALDH1A1
SCHEMBL4077924 0.88 LMNA (0.71) LMNAPRSS1PRSS2PRSS3ALDH1A1
SCHEMBL27783236 0.87 PRSS1 (0.73) LMNAPRSS1PRSS2PRSS3ALDH1A1
SCHEMBL2801630 0.86 ALDH1A1 (0.81) LMNAALDH1A1CYP3A4TSHRTDP1
SCHEMBL7459965 0.86 ALDH1A1 (0.81) LMNAALDH1A1CYP3A4TSHRTDP1
SCHEMBL167484 0.86 ALDH1A1 (0.81) LMNAALDH1A1CYP3A4TSHRTDP1

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-20090186943-A1 Antiseptic Ointment MARUISHI PHARMACEUTICAL CO., LTD. (JP) 2009-07-23 US disclosed
EP-1990050-A1 DISINFECTANT OINTMENT Maruishi Pharmaceutical Co., Ltd. (JP) 2008-11-12 EP disclosed