SCHEMBL12907225

SCHEMBL12907225

CCC(C)(C)c1ccc(C(=O)c2ccc(C(C)(C)C)cc2)cc1

nearest known ligand 0.63

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ SRD5A2 P31213 1/20 0.63
▸ SIRT1 Q96EB6 1/20 0.56
▸ HDAC1 Q13547 3/20 0.50
▸ RAB9A P51151 5/20 0.49
▸ NPC1 O15118 4/20 0.49
▸ SMN1; SMN2 Q16637 2/20 0.49
▸ HSP90AA1 P07900 1/20 0.49
▸ PKM P14618 1/20 0.49
▸ MAPT P10636 1/20 0.49
▸ CNR1 P21554 1/20 0.46
▸ CNR2 P34972 1/20 0.46
▸ HDAC3 O15379 2/20 0.46
▸ HDAC2 Q92769 2/20 0.46
▸ HDAC8 Q9BY41 1/20 0.46
▸ HDAC6 Q9UBN7 1/20 0.46
▸ ALDH1A1 P00352 3/20 0.45
▸ LMNA P02545 3/20 0.45
▸ GAA P10253 1/20 0.45
▸ MAPK1 P28482 2/20 0.45
▸ TDP1 Q9NUW8 2/20 0.45

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
SCHEMBL19340047 0.90 NPC1 (0.58) SRD5A2SIRT1RAB9ANPC1SMN1; SMN2
SCHEMBL22459300 0.87 SRD5A2 (0.47) SRD5A2SIRT1RAB9ANPC1SMN1; SMN2
SCHEMBL17472307 0.87 ALDH1A1 (0.59) SRD5A2SIRT1HDAC1RAB9ANPC1
SCHEMBL10946728 0.85 SRD5A2 (0.83) SRD5A2SIRT1HDAC1RAB9ANPC1
SCHEMBL1148445 0.85 SRD5A2 (0.83) SRD5A2SIRT1HDAC1RAB9ANPC1
SCHEMBL19002400 0.85 LTA4H (0.47) SRD5A2HDAC1RAB9ANPC1SMN1; SMN2
Hydrochloric Acid SCHEMBL27713186 0.83 SRD5A2 (0.79) SRD5A2SIRT1HDAC1RAB9ANPC1
SCHEMBL3625528 0.83 NPC1 (0.52) RAB9ANPC1SMN1; SMN2MAPTCNR2
SCHEMBL14421372 0.82 LMNA (0.55) RAB9ANPC1MAPTALDH1A1LMNA
SCHEMBL13621651 0.81 SRD5A2 (0.63) SRD5A2SIRT1HDAC1RAB9ANPC1

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-2284844-A1 POLYMER ELECTROLYTE, CROSSLINKED POLYMER ELECTROLYTE, POLYMER ELECTROLYTE MEMBRANE AND USE OF THE SAME Sumitomo Chemical Company, Limited (JP) 2011-02-16 — — EP disclosed
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