SCHEMBL10709376

SCHEMBL10709376

CCOC(C)(C)C(=O)c1ccc(C(C)C)cc1

nearest known ligand 0.44

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
USP5 P45974 1/20 0.44
SMN1; SMN2 Q16637 6/20 0.42
LMNA P02545 3/20 0.42
HTT P42858 2/20 0.42
CYP2C9 P11712 2/20 0.41
RXRA P19793 1/20 0.41
RXRB P28702 1/20 0.41
CYP2D6 P10635 1/20 0.39
HIF1A Q16665 1/20 0.39
RAB9A P51151 4/20 0.38
L3MBTL1 Q9Y468 3/20 0.38
ALDH1A1 P00352 2/20 0.38
NPC1 O15118 2/20 0.38
EPHX1 P07099 1/20 0.38
MEN1 O00255 3/20 0.38
KMT2A Q03164 3/20 0.38
POLB P06746 1/20 0.38
HPGD P15428 3/20 0.37

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
SCHEMBL11245870 0.87 USP5 (0.44) USP5SMN1; SMN2LMNAHTTCYP2C9
SCHEMBL28486290 0.82 NPC1 (0.44) SMN1; SMN2RAB9AL3MBTL1ALDH1A1NPC1
SCHEMBL10714002 0.81 CA2 (0.46) SMN1; SMN2LMNAHTTRAB9AALDH1A1
SCHEMBL9246353 0.81 CYP2C9 (0.44) USP5SMN1; SMN2LMNAHTTCYP2C9
SCHEMBL11251806 0.79 CES1 (0.46) SMN1; SMN2LMNACYP2D6HIF1AALDH1A1
SCHEMBL4453109 0.77 USP5 (0.47) USP5SMN1; SMN2LMNAHTTCYP2C9
SCHEMBL25448181 0.77 CYP2C9 (0.41) USP5SMN1; SMN2LMNAHTTCYP2C9
SCHEMBL19491890 0.77 ALDH1A1 (0.48) SMN1; SMN2LMNAHTTRAB9AL3MBTL1
SCHEMBL10942400 0.77 ELANE (0.49) LMNARAB9AL3MBTL1ALDH1A1NPC1
SCHEMBL12632153 0.76 CYP2C9 (0.50) USP5SMN1; SMN2LMNAHTTCYP2C9

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-4721734-A PHOTOPOLYMERIZATION OF UNSATURATED COMPOUNDS MERCK PATENT GESELLSCHAFT MIT BESCHRANKTER HAFTUNG (DE) 1988-01-26 US disclosed
US-4477681-A PHOTOPOLYMERIZATION AND HARDENING OF PRINTING DYES MERCK PATENT GESELLSCHAFT MIT BESCHRANKTER HAFTUNG (DE) 1984-10-16 US disclosed
US-4347111-A PHOTOPOLYMERIZATION OF UNSATURATED COMPOUNDS, HARDENING OF PRINTING DYES MERCK PATENT GESELLSCHAFT MIT BESCHRANKTER HAFTUNG (DE) 1982-08-31 US disclosed