SCHEMBL4420142

SCHEMBL4420142

CC(=O)OC(C)(C)c1cc(C(C)(C)C)cc(C(C)(C)OC(C)=O)c1.CC(=O)OC(C)(C)c1ccc(C(C)(C)OC(C)=O)cc1

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RXRB P28702 5/20 0.41
RXRA P19793 4/20 0.41
RXRG P48443 3/20 0.41
GABRA1 P14867 1/20 0.40
GABRB2 P47870 1/20 0.40
HDAC3 O15379 1/20 0.38
HDAC6 Q9UBN7 1/20 0.38
HDAC1 Q13547 1/20 0.37
SMN1; SMN2 Q16637 1/20 0.37
TDP1 Q9NUW8 2/20 0.36
ALDH1A1 P00352 1/20 0.36
HPGD P15428 1/20 0.36
ALOX15 P16050 1/20 0.36
HSD17B10 Q99714 1/20 0.36
SRD5A2 P31213 1/20 0.36
SIRT1 Q96EB6 1/20 0.36
LMNA P02545 1/20 0.35
TYR P14679 1/20 0.35
CYP1A2 P05177 1/20 0.35
MAPT P10636 2/20 0.35

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
SCHEMBL10281295 0.94 GABRA1 (0.44) RXRBRXRARXRGGABRA1GABRB2
SCHEMBL536261 0.94 GABRA1 (0.44) RXRBRXRARXRGGABRA1GABRB2
SCHEMBL305335 0.88 ALDH1A1 (0.39) HDAC1SMN1; SMN2TDP1ALDH1A1HPGD
SCHEMBL907993 0.88 GAA (0.39) RXRBRXRARXRGGABRA1GABRB2
SCHEMBL4194148 0.82 PTPN1 (0.36) SMN1; SMN2TDP1ALDH1A1HPGDHSD17B10
SCHEMBL16730170 0.82 GABRA1 (0.35) RXRBRXRARXRGGABRA1GABRB2
SCHEMBL4185138 0.82 KIF11 (0.39) RXRBRXRARXRGSMN1; SMN2ALDH1A1
SCHEMBL26059369 0.80 ESR1 (0.48) ALDH1A1HPGDHSD17B10LMNATYR
SCHEMBL4459027 0.80 LMNA (0.47) HDAC6HDAC1SMN1; SMN2TDP1ALDH1A1
SCHEMBL305401 0.80 CYP3A4 (0.41) RXRBRXRAALDH1A1ALOX15LMNA

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-7491773-B2 Halogenated polymers with new sequence distributions EXXONMOBIL CHEMICAL PATENTS INC. (US) 2009-02-17 US claimed