SCHEMBL13979409

SCHEMBL13979409

CC(C)Oc1ccc(C2(c3ccc(O)cc3)CCCC2)cc1

nearest known ligand 0.63

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ ESR1 P03372 4/20 0.63
▸ ESR2 Q92731 4/20 0.63
▸ ADORA3 P0DMS8 1/20 0.40
▸ KMT2A Q03164 2/20 0.40
▸ ALDH1A1 P00352 2/20 0.39
▸ L3MBTL1 Q9Y468 1/20 0.39
▸ PARP10 Q53GL7 1/20 0.39
▸ PSMB1 P20618 1/20 0.38
▸ PSMB5 P28074 1/20 0.38
▸ PSMB2 P49721 1/20 0.38
▸ MEN1 O00255 1/20 0.37
▸ MITF O75030 1/20 0.37
▸ SLC6A4 P31645 1/20 0.37
▸ SLC6A3 Q01959 1/20 0.37
▸ ALDH1A3 P47895 1/20 0.37
▸ POLB P06746 1/20 0.37
▸ LMNA P02545 1/20 0.36
▸ MAPT P10636 1/20 0.36
▸ ALOX12 P18054 1/20 0.36
▸ HTT P42858 1/20 0.36

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
SCHEMBL18570330 0.82 ESR1 (0.56) ESR1ESR2ADORA3ALDH1A1L3MBTL1
SCHEMBL14143026 0.80 ESR1 (0.57) ESR1ESR2ADORA3KMT2AALDH1A1
SCHEMBL18567241 0.80 ADORA3 (0.45) ESR1ESR2ADORA3KMT2AALDH1A1
SCHEMBL10353823 0.80 ADORA3 (0.48) ESR1ESR2ADORA3KMT2AALDH1A1
SCHEMBL28485 0.80 KMT2A (0.56) ESR1ESR2KMT2AALDH1A1PARP10
SCHEMBL120895 0.80 ESR2 (1.00) ESR1ESR2ADORA3KMT2AALDH1A1
SCHEMBL7026652 0.79 ESR1 (0.50) ESR1ESR2ADORA3ALDH1A1L3MBTL1
SCHEMBL8760127 0.79 ESR2 (0.71) ESR1ESR2ADORA3ALDH1A1L3MBTL1
SCHEMBL20006517 0.79 ESR1 (0.56) ESR1ESR2ADORA3ALDH1A1L3MBTL1
SCHEMBL13765230 0.79 ELANE (0.46) ESR1ESR2ADORA3KMT2AALDH1A1

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-1997857-A1 PHTHALOCYANINE CRYSTAL, ELECTROPHOTOGRAPHIC PHOTORECEPTOR UTILIZING THE SAME, ELECTROPHOTOGRAPHIC PHOTORECEPTOR CARTRIDGE AND IMAGE FORMING APPARATUS Mitsubishi Chemical Corporation (JP) 2008-12-03 — — EP disclosed
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