SCHEMBL13845279

SCHEMBL13845279

CCOC(C)Oc1ccc(C(C)(C)c2cccc(C(C)(C)c3ccc(OC(C)C#CO)cc3)c2)cc1

nearest known ligand 0.38

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
▸ ESR1 P03372 1/20 0.38
▸ ESR2 Q92731 1/20 0.38
▸ KDM4E B2RXH2 5/20 0.33
▸ SMN1; SMN2 Q16637 3/20 0.33
▸ MEN1 O00255 2/20 0.33
▸ KMT2A Q03164 2/20 0.33
▸ GAA P10253 1/20 0.33
▸ HTT P42858 1/20 0.33
▸ ALDH1A1 P00352 2/20 0.32
▸ TDP1 Q9NUW8 1/20 0.32
▸ RORC P51449 1/20 0.32
▸ LMNA P02545 2/20 0.30
▸ POLB P06746 2/20 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
SCHEMBL196326 0.79 LMNA (0.39) ESR1ESR2KDM4ESMN1; SMN2MEN1
SCHEMBL13717573 0.76 ESR1 (0.50) ESR1ESR2KDM4ESMN1; SMN2MEN1
SCHEMBL15869162 0.75 PSMB1 (0.36) ESR1ESR2KDM4ESMN1; SMN2MEN1
SCHEMBL13845278 0.73 IDO1 (0.33) POLB
SCHEMBL4060025 0.70 NR1H4 (0.42) KDM4ESMN1; SMN2MEN1KMT2AALDH1A1
SCHEMBL1456662 0.70 LMNA (0.39) ESR1ESR2KMT2AALDH1A1LMNA
SCHEMBL13224550 0.70 HTT (0.34) KDM4ESMN1; SMN2MEN1KMT2AGAA
SCHEMBL4961873 0.69 HTT (0.40) ESR1ESR2KDM4ESMN1; SMN2MEN1
SCHEMBL5560730 0.69 LTB4R (0.32) KDM4ESMN1; SMN2MEN1KMT2AGAA
SCHEMBL3852488 0.68 LMNA (0.52) KMT2ATDP1LMNAPOLB

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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