SCHEMBL24604229

SCHEMBL24604229

CCC(C)(c1ccc(OC#N)cc1)c1ccc(C(C)(C)c2ccc(OC)cc2)cc1

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 7/20 0.35
LMNA P02545 2/20 0.35
APEX1 P27695 2/20 0.35
ALOX15 P16050 1/20 0.35
MAPK1 P28482 1/20 0.35
RECQL P46063 1/20 0.35
HSD17B10 Q99714 1/20 0.35
TDP1 Q9NUW8 1/20 0.35
AOC3 Q16853 1/20 0.35
GAA P10253 2/20 0.33
CA1 P00915 2/20 0.33
CA2 P00918 2/20 0.33
CA7 P43166 2/20 0.33
CA9 Q16790 2/20 0.33
CA12 O43570 1/20 0.33
CA14 Q9ULX7 1/20 0.33
MAPT P10636 6/20 0.33
HPGD P15428 4/20 0.33
TSHR P16473 3/20 0.33
MEN1 O00255 3/20 0.33

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
SCHEMBL11657770 0.89 NPC1 (0.37) MAPTSMN1; SMN2NPC1RAB9A
SCHEMBL25752511 0.83 TSHR (0.36) ALDH1A1MAPTTSHRNPC1RAB9A
SCHEMBL25961 0.82 HPGD (0.41) ALDH1A1MAPK1HSD17B10CA1CA2
SCHEMBL7789786 0.82 HPGD (0.41) ALDH1A1MAPK1HSD17B10CA1CA2
SCHEMBL1555244 0.82 HPGD (0.41) ALDH1A1MAPK1HSD17B10CA1CA2
SCHEMBL4742924 0.82 CA1 (0.50) ALDH1A1LMNAAPEX1ALOX15MAPK1
SCHEMBL20547222 0.77 KIF11 (0.42) ALDH1A1MAPK1HSD17B10MAPTHPGD
SCHEMBL22966364 0.77 KIF11 (0.42) ALDH1A1MAPK1HSD17B10MAPTHPGD
SCHEMBL22966431 0.77 KIF11 (0.42) ALDH1A1MAPK1HSD17B10MAPTHPGD
SCHEMBL2580928 0.77 HPGD (0.42) ALDH1A1LMNAMAPK1RECQLHSD17B10

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
WO-2022145576-A1 ULTRATHIN ECO-FRIENDLY ADHESIVE COATING AGENT FOR BRIDGE DECK OVERLAYS, AND CONSTRUCTION METHOD USING SAME 주식회사 새론테크 2022-07-07 WO disclosed