SCHEMBL13845274

SCHEMBL13845274

CCCC1CCC(c2ccc(OC(C)OCC)cc2)CC1

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ CYP2C9 P11712 2/20 0.48
▸ ALDH1A1 P00352 1/20 0.46
▸ LMNA P02545 1/20 0.46
▸ MAPT P10636 1/20 0.46
▸ MEN1 O00255 1/20 0.46
▸ MAPK1 P28482 1/20 0.46
▸ KMT2A Q03164 1/20 0.46
▸ ESR2 Q92731 3/20 0.38
▸ DRD2 P14416 1/20 0.37
▸ ESR1 P03372 1/20 0.33
▸ CYP3A4 P08684 1/20 0.33
▸ TSHR P16473 1/20 0.33
▸ IDO1 P14902 1/20 0.33
▸ CACNA1G O43497 1/20 0.32
▸ CACNA1H O95180 1/20 0.32
▸ CACNA1I Q9P0X4 1/20 0.32
▸ RAB9A P51151 1/20 0.32
▸ SLC6A2 P23975 1/20 0.32
▸ SLC6A4 P31645 1/20 0.32
▸ SLC6A3 Q01959 1/20 0.32

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
SCHEMBL13845280 0.91 CYP2C9 (0.39) CYP2C9ALDH1A1LMNAMAPTMEN1
SCHEMBL20391886 0.85 CYP2C9 (0.52) CYP2C9ALDH1A1LMNAMAPTMEN1
SCHEMBL9060201 0.81 CYP2C9 (0.51) CYP2C9ALDH1A1LMNAMAPTMEN1
SCHEMBL4801614 0.81 CYP2C9 (0.51) CYP2C9ALDH1A1LMNAMAPTMEN1
SCHEMBL4800850 0.79 CYP2C9 (0.55) CYP2C9ALDH1A1LMNAMAPTMEN1
SCHEMBL1894069 0.79 CYP2C9 (0.55) CYP2C9ALDH1A1LMNAMAPTMEN1
SCHEMBL10363482 0.79 CYP2C9 (0.53) CYP2C9ALDH1A1LMNAMAPTMEN1
SCHEMBL10363481 0.79 CYP2C9 (0.53) CYP2C9ALDH1A1LMNAMAPTMEN1
SCHEMBL9906555 0.78 CYP2C9 (0.46) CYP2C9ALDH1A1LMNAMAPTMEN1
SCHEMBL12522900 0.78 CYP2C9 (0.46) CYP2C9ALDH1A1LMNAMAPTMEN1

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
US-7534547-B2 Optically active compound and photosensitive resin composition OSAKA GAS COMPANY LIMITED (JP) 2009-05-19 — — US disclosed
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