SCHEMBL5709846

SCHEMBL5709846

CCCCCC(=O)OCc1ccc(C)cc1

nearest known ligand 0.58

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 3/20 0.51
GAA P10253 1/20 0.51
MAPT P10636 1/20 0.51
LMNA P02545 2/20 0.50
DGKA P23743 1/20 0.50
KMT2A Q03164 1/20 0.48
PAM P19021 2/20 0.46
ELANE P08246 2/20 0.45
ALOX15 P16050 1/20 0.44
KDM4E B2RXH2 1/20 0.44

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
SCHEMBL4222015 0.98 DGKA (0.53) ALDH1A1GAAMAPTLMNADGKA
SCHEMBL4222033 0.98 DGKA (0.53) ALDH1A1GAAMAPTLMNADGKA
SCHEMBL4213449 0.98 DGKA (0.53) ALDH1A1GAAMAPTLMNADGKA
SCHEMBL4212735 0.98 DGKA (0.53) ALDH1A1GAAMAPTLMNADGKA
SCHEMBL4214264 0.98 DGKA (0.53) ALDH1A1GAAMAPTLMNADGKA
SCHEMBL3158943 0.98 DGKA (0.53) ALDH1A1GAAMAPTLMNADGKA
SCHEMBL15987607 0.98 DGKA (0.53) ALDH1A1GAAMAPTLMNADGKA
SCHEMBL28420977 0.95 ALDH1A1 (0.52) ALDH1A1GAAMAPTLMNAKMT2A
SCHEMBL18381103 0.93 ALDH1A1 (0.56) ALDH1A1GAAMAPTLMNAKMT2A
SCHEMBL18381162 0.91 ALDH1A1 (0.55) ALDH1A1GAAMAPTLMNAKMT2A

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-1179435-B1 Reversible thermochromic composition having improved light-fastness and product comprising same PILOT INK CO LTD (JP) 2006-11-29 EP disclosed
US-6638620-B2 Discoloration sensitivity THE PILOT INK CO., LTD. (JP) 2003-10-28 US disclosed