SCHEMBL24664401

SCHEMBL24664401

Cc1ccc(C2=CCCC=C2)c(C)c1

nearest known ligand 0.36

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GAA P10253 1/20 0.36
MAPT P10636 1/20 0.36
LMNA P02545 1/20 0.34
TP53 P04637 2/20 0.33
TDP1 Q9NUW8 1/20 0.33
ALDH1A1 P00352 1/20 0.32
HPGD P15428 1/20 0.32
ALOX15 P16050 1/20 0.32
HSD17B10 Q99714 1/20 0.32
FKBP1A P62942 1/20 0.31
ALPL P05186 1/20 0.31
CA9 Q16790 1/20 0.31
MAOA P21397 1/20 0.31
MAOB P27338 1/20 0.31
MEN1 O00255 1/20 0.30
NPC1 O15118 1/20 0.30
RAB9A P51151 1/20 0.30
KMT2A Q03164 1/20 0.30
CYP3A4 P08684 1/20 0.30
ADRA2A P08913 1/20 0.30

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
SCHEMBL23318985 0.84 TRPA1 (0.42) GAAMAPTLMNATP53TDP1
SCHEMBL23934900 0.82 ALDH1A1 (0.41) GAAMAPTLMNAALDH1A1HPGD
SCHEMBL24714214 0.82
SCHEMBL27426785 0.80 CA2 (0.31)
SCHEMBL24786925 0.73
SCHEMBL11431329 0.72 ACHE (0.35) TDP1HPGDALOX15HSD17B10
SCHEMBL15107714 0.70 CRHR1 (0.35)
SCHEMBL20860427 0.70 MAPT (0.37) GAAMAPTLMNATP53TDP1
SCHEMBL3043421 0.70 TDP1 (0.52) GAAMAPTLMNATP53TDP1
SCHEMBL31547677 0.70 TDP1 (0.52) GAAMAPTLMNATP53TDP1

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-3772517-B1 ORGANOMETALLIC COMPOUND, ORGANIC LIGHT-EMITTING DEVICE INCLUDING SAME, AND DIAGNOSTIC COMPOSITION INCLUDING SAME SAMSUNG ELECTRONICS CO LTD (KR) 2022-11-02 EP disclosed