SCHEMBL7215258

SCHEMBL7215258

CCCC1CCC(c2cc(C=O)c(OCC)c(C3CCCCC3)c2)CC1

nearest known ligand 0.37

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
▸ POLB P06746 1/20 0.37
▸ LMNA P02545 2/20 0.37
▸ ALDH1A1 P00352 1/20 0.37
▸ MAPT P10636 1/20 0.37
▸ CYP2C9 P11712 1/20 0.36
▸ MEN1 O00255 1/20 0.32
▸ MAPK1 P28482 1/20 0.32
▸ KMT2A Q03164 1/20 0.32
▸ HPGD P15428 1/20 0.31
▸ MITF O75030 1/20 0.31
▸ EPHX2 P34913 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
SCHEMBL28419131 0.75 OPRL1 (0.36) LMNAALDH1A1MAPTCYP2C9MITF
SCHEMBL11111329 0.75 CYP2C9 (0.45) POLBLMNAALDH1A1MAPTCYP2C9
SCHEMBL11111324 0.75 CYP2C9 (0.45) POLBLMNAALDH1A1MAPTCYP2C9
SCHEMBL16056467 0.72 POLB (0.36) POLBLMNAALDH1A1
SCHEMBL10897740 0.71 MAPT (0.43) LMNAALDH1A1MAPTCYP2C9MEN1
SCHEMBL10897732 0.71 MAPT (0.43) LMNAALDH1A1MAPTCYP2C9MEN1
SCHEMBL7215250 0.70 TLR4 (0.33) POLBLMNAALDH1A1MAPT
SCHEMBL8433538 0.70 CYP2C9 (0.48) LMNAALDH1A1MAPTCYP2C9MEN1
SCHEMBL2599724 0.69 ESR2 (0.33) —
SCHEMBL8726230 0.68 CYP2C9 (0.40) LMNAALDH1A1MAPTCYP2C9MEN1

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-6576303-B1 Negative and absolutely large Delta set- membership value CHISSO CORPORATION (JP) 2003-06-10 — — US disclosed
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