SCHEMBL28244201

SCHEMBL28244201

CC(C)(C)c1cc(O)c(CCC(=O)O)cc1C(C)(C)C

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NPSR1 Q6W5P4 2/20 0.50
POLB P06746 1/20 0.50
GAA P10253 2/20 0.47
KDM4E B2RXH2 1/20 0.45
ALDH1A1 P00352 1/20 0.45
CYP1A2 P05177 1/20 0.45
MAPT P10636 1/20 0.45
ALOX15 P16050 1/20 0.45
ATP2A2 P16615 1/20 0.45
SMN1; SMN2 Q16637 1/20 0.45
ATP2A3 Q93084 1/20 0.45
NR1H4 Q96RI1 2/20 0.42
RXRA P19793 1/20 0.41
RXRB P28702 1/20 0.41
RXRG P48443 1/20 0.41
GLRA3 O75311 1/20 0.40
GLRB P48167 1/20 0.40
ELANE P08246 1/20 0.40
VCAM1 P19320 2/20 0.38
FFAR1 O14842 1/20 0.38

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
SCHEMBL692695 0.89 GAA (0.58) NPSR1POLBGAAKDM4EALDH1A1
SCHEMBL10503380 0.83 NPSR1 (0.62) NPSR1POLBGAAKDM4EALDH1A1
SCHEMBL15005398 0.83 GAA (0.46) NPSR1POLBGAAKDM4EALDH1A1
SCHEMBL6659557 0.83 NPSR1 (0.58) NPSR1POLBGAAKDM4EALDH1A1
SCHEMBL29359286 0.83 NPSR1 (0.58) NPSR1POLBGAAKDM4EALDH1A1
1,6-Hexanediol SCHEMBL10704458 0.81 GAA (0.51) NPSR1POLBGAAKDM4EALDH1A1
SCHEMBL11581053 0.80 NPSR1 (0.49) NPSR1POLBGAAKDM4EALDH1A1
SCHEMBL740968 0.77 POLB (0.50) NPSR1POLBGAAKDM4EALDH1A1
SCHEMBL1278265 0.77 F13A1 (0.51) POLBGAAKDM4EALDH1A1CYP1A2
SCHEMBL7162861 0.77 F13A1 (0.51) POLBGAAKDM4EALDH1A1CYP1A2

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
CN-104788708-B Include the composition and application thereof of 2,3,3,3- tetrafluoropropenes and hydrocarbon 科慕埃弗西有限公司 2018-09-04 CN disclosed