SCHEMBL27864470

SCHEMBL27864470

C=CC(=O)Oc1ccc2cc(C)ccc2c1CC

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ NCEH1 Q6PIU2 3/20 0.45
▸ THRB P10828 3/20 0.39
▸ THRA P10827 1/20 0.39
▸ RXFP1 Q9HBX9 3/20 0.37
▸ L3MBTL1 Q9Y468 3/20 0.37
▸ KDM4E B2RXH2 3/20 0.37
▸ LMNA P02545 4/20 0.34
▸ SMN1; SMN2 Q16637 2/20 0.34
▸ TYMS P04818 1/20 0.34
▸ SRD5A1 P18405 1/20 0.34
▸ POLB P06746 1/20 0.34
▸ MAPK1 P28482 1/20 0.34
▸ ALDH1A1 P00352 1/20 0.33
▸ GAA P10253 1/20 0.33
▸ HPGD P15428 1/20 0.33
▸ HSD17B10 Q99714 1/20 0.33
▸ CYP1A2 P05177 1/20 0.33
▸ CYP3A4 P08684 1/20 0.33
▸ CYP2D6 P10635 1/20 0.33
▸ CYP2C9 P11712 1/20 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
SCHEMBL27715812 0.80 THRB (0.50) THRBTHRAL3MBTL1KDM4ELMNA
SCHEMBL15447077 0.78 TYMS (0.43) THRBTHRAL3MBTL1LMNASMN1; SMN2
SCHEMBL12149389 0.77 THRB (0.44) NCEH1THRBL3MBTL1KDM4ELMNA
SCHEMBL15280140 0.76 ACHE (0.47) RXFP1L3MBTL1KDM4ELMNASMN1; SMN2
SCHEMBL27615615 0.76 THRB (0.43) NCEH1THRBTHRAKDM4ELMNA
SCHEMBL30593911 0.75 L3MBTL1 (0.47) THRBTHRAL3MBTL1KDM4ELMNA
SCHEMBL39820 0.75 L3MBTL1 (0.47) THRBTHRAL3MBTL1KDM4ELMNA
SCHEMBL28010238 0.74 L3MBTL1 (0.44) THRBTHRAL3MBTL1KDM4ELMNA
SCHEMBL28244530 0.74 HPGD (0.44) THRBL3MBTL1KDM4ELMNASMN1; SMN2
SCHEMBL28239965 0.73 TRPA1 (0.41) THRBTHRAL3MBTL1KDM4ELMNA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-102596269-A Composition for repairing hard tissue MITSUI CHEMICALS INC 2012-07-18 — — CN disclosed
CN-102596268-A Adhesive composition for soft tissue, adhesive composition for wound dressing, or wound dressing composition MITSUI CHEMICALS INC 2012-07-18 — — CN disclosed
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