SCHEMBL18959614

SCHEMBL18959614

C=Cc1ccc(COc2cc(OCc3ccc(C=C)cc3)cc(OCc3ccc(CC)cc3)c2)cc1

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RXRA P19793 1/20 0.45
RXRB P28702 1/20 0.45
MAPT P10636 2/20 0.43
HIF1A Q16665 1/20 0.43
SMN1; SMN2 Q16637 2/20 0.42
ALDH1A1 P00352 2/20 0.42
LMNA P02545 1/20 0.42
HPGD P15428 1/20 0.42
CHRNB2 P17787 1/20 0.41
CHRNB4 P30926 1/20 0.41
CHRNA3 P32297 1/20 0.41
CHRNA7 P36544 1/20 0.41
CHRNA4 P43681 1/20 0.41
FFAR1 O14842 1/20 0.40
PPARG P37231 1/20 0.40
PPARD Q03181 1/20 0.40
PPARA Q07869 1/20 0.40
PTPN2 P17706 1/20 0.40
PTPN1 P18031 1/20 0.40
PTPN11 Q06124 1/20 0.40

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
SCHEMBL10226406 0.91 RXRA (0.54) RXRARXRBMAPTSMN1; SMN2ALDH1A1
SCHEMBL6394555 0.91 ALDH1A1 (0.46) HIF1ASMN1; SMN2ALDH1A1CHRNB2CHRNB4
SCHEMBL21388410 0.88 MAPT (0.43) RXRARXRBMAPTHIF1ASMN1; SMN2
SCHEMBL16022462 0.83 RXRA (0.47) RXRARXRBMAPTSMN1; SMN2ALDH1A1
SCHEMBL7619064 0.81 HIF1A (0.40) MAPTHIF1ASMN1; SMN2ALDH1A1FFAR1
SCHEMBL439247 0.81 SMN1; SMN2 (0.43) MAPTHIF1ASMN1; SMN2ALDH1A1FFAR1
SCHEMBL13242652 0.81 APP (0.54) SMN1; SMN2ALDH1A1CHRNB2CHRNB4CHRNA3
SCHEMBL6388039 0.81 APP (0.54) SMN1; SMN2ALDH1A1CHRNB2CHRNB4CHRNA3
SCHEMBL15915 0.81 ALDH1A1 (0.58) MAPTSMN1; SMN2ALDH1A1LMNAHPGD
SCHEMBL7628720 0.80 SMN1; SMN2 (0.42) MAPTHIF1ASMN1; SMN2ALDH1A1FFAR1

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
US-20170170400-A1 COMPOSITIONS COMPRISING OXYGEN SUBSTITUTED BENZOCYCLOBUTENES AND DIENOPHILES, AND ELECTRONIC DEVICES CONTAINING THE SAME DOW GLOBAL TECHNOLOGIES LLC (US) 2017-06-15 US disclosed
US-20170170400-A1 COMPOSITIONS COMPRISING OXYGEN SUBSTITUTED BENZOCYCLOBUTENES AND DIENOPHILES, AND ELECTRONIC DEVICES CONTAINING THE SAME DOW GLOBAL TECHNOLOGIES LLC (US) 2017-06-15 US disclosed