SCHEMBL27977445

SCHEMBL27977445

Cc1ccc(C(=O)OCCCO)cn1

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 4/20 0.49
KMT2A Q03164 3/20 0.49
L3MBTL1 Q9Y468 2/20 0.49
LMNA P02545 5/20 0.47
HDAC1 Q13547 1/20 0.46
HDAC6 Q9UBN7 1/20 0.46
KDM4E B2RXH2 1/20 0.46
CYP1A2 P05177 2/20 0.44
TSHR P16473 2/20 0.44
CYP2C19 P33261 2/20 0.44
ESR1 P03372 1/20 0.44
CYP2D6 P10635 1/20 0.44
MAPK1 P28482 1/20 0.44
NR1H2 P55055 1/20 0.44
RNASEL Q05823 1/20 0.44
SMN1; SMN2 Q16637 1/20 0.44
CYP3A4 P08684 1/20 0.43
CYP2C9 P11712 1/20 0.43
PDE4D Q08499 1/20 0.43
ALDH1A1 P00352 3/20 0.42

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
SCHEMBL7744434 0.88 L3MBTL1 (0.64) MAPTKMT2AL3MBTL1LMNACYP1A2
SCHEMBL28719044 0.84 ALDH1A1 (0.57) MAPTKMT2AL3MBTL1LMNAHDAC1
SCHEMBL11709225 0.84 GAA (0.61) MAPTKMT2AL3MBTL1LMNAHDAC1
SCHEMBL659139 0.82 CA12 (0.56) MAPTKMT2AL3MBTL1LMNAHDAC1
SCHEMBL726435 0.79 TDP1 (0.63) MAPTLMNACYP1A2TSHRCYP2C19
SCHEMBL24703892 0.77 MAPK1 (0.49) MAPTKMT2AL3MBTL1LMNAHDAC6
SCHEMBL11710335 0.76 KDM4E (0.62) L3MBTL1KDM4ECYP2D6MAPK1SMN1; SMN2
SCHEMBL31161094 0.76 L3MBTL1 (0.75) MAPTKMT2AL3MBTL1LMNAKDM4E
SCHEMBL7285060 0.76 L3MBTL1 (0.75) MAPTKMT2AL3MBTL1LMNAKDM4E
SCHEMBL10765868 0.76 TDP1 (0.59) MAPTLMNACYP1A2TSHRCYP2C19

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-103974937-A Novel adipogenesis inhibitor compounds FABRE PIERRE DERMO COSMETIQUE 2014-08-06 CN disclosed