SCHEMBL19861123

SCHEMBL19861123

CC(C)CC(C)CCCCc1c(C(=O)c2ccccc2)oc2ccccc12

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 8/20 0.46
NPC1 O15118 3/20 0.46
KMT2A Q03164 1/20 0.46
ALDH1A1 P00352 4/20 0.44
TSHR P16473 1/20 0.44
MCL1 Q07820 4/20 0.44
PTPN1 P18031 1/20 0.44
NPSR1 Q6W5P4 3/20 0.43
SMN1; SMN2 Q16637 2/20 0.43
KDM4E B2RXH2 2/20 0.43
HTT P42858 2/20 0.43
TDP1 Q9NUW8 2/20 0.43
HPGD P15428 1/20 0.43
ALOX12 P18054 1/20 0.43
RAB9A P51151 2/20 0.43
L3MBTL1 Q9Y468 3/20 0.42
BCL2 P10415 1/20 0.42
BCL2L1 Q07817 1/20 0.42
BAD Q92934 1/20 0.42
LMNA P02545 1/20 0.41

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
SCHEMBL19861154 0.82 MAPT (0.54) MAPTNPC1KMT2AALDH1A1TSHR
SCHEMBL17997088 0.81 MAPT (0.52) MAPTNPC1KMT2AALDH1A1TSHR
SCHEMBL16540826 0.81 MAPT (0.52) MAPTNPC1KMT2AALDH1A1TSHR
SCHEMBL16540523 0.75 KDM4E (0.51) MAPTNPC1KMT2AALDH1A1TSHR
SCHEMBL16547892 0.75 MAPT (0.57) MAPTNPC1KMT2AALDH1A1TSHR
SCHEMBL16540650 0.75 MAPT (0.57) MAPTNPC1KMT2AALDH1A1TSHR
SCHEMBL16540839 0.73 PLK1 (0.52) MAPTNPC1KMT2AALDH1A1TSHR
SCHEMBL16540606 0.72 KDM4E (0.53) MAPTNPC1KMT2AALDH1A1TSHR
SCHEMBL16540796 0.71 MAPT (0.57) MAPTNPC1KMT2AALDH1A1TSHR
SCHEMBL16540788 0.71 ALDH1A1 (0.50) MAPTNPC1KMT2AALDH1A1TSHR

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-9890132-B2 Process for the preparation of anti-inflammatory aroylbenzofuran compounds COUNCIL OF SCIENTIFIC & INDUSTRIAL RESEARCH (IN) 2018-02-13 US disclosed