SCHEMBL8846018

SCHEMBL8846018

CC1(C(=O)OCc2ccccc2)C=CC(C=CC(=O)O)=CC1

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HCAR2 Q8TDS4 1/20 0.45
LMNA P02545 2/20 0.40
ALDH1A1 P00352 4/20 0.39
PTGER1 P34995 1/20 0.39
PTGER4 P35408 1/20 0.39
PTGER3 P43115 1/20 0.39
PTGER2 P43116 1/20 0.39
MAPK1 P28482 1/20 0.38
L3MBTL1 Q9Y468 1/20 0.38
KDM4E B2RXH2 2/20 0.38
PKM P14618 1/20 0.38
CA12 O43570 1/20 0.38
AKR1B10 O60218 1/20 0.38
AKR1B1 P15121 1/20 0.38
CA4 P22748 1/20 0.38
CA6 P23280 1/20 0.38
CA5A P35218 1/20 0.38
CA7 P43166 1/20 0.38
CA9 Q16790 1/20 0.38
CA14 Q9ULX7 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
SCHEMBL3090328 0.75 LMNA (0.47) HCAR2LMNAALDH1A1MAPK1L3MBTL1
SCHEMBL3090330 0.75 LMNA (0.47) HCAR2LMNAALDH1A1MAPK1L3MBTL1
SCHEMBL15095465 0.71 ALDH1A1 (0.58) HCAR2LMNAALDH1A1MAPK1L3MBTL1
SCHEMBL27821458 0.67 ALDH1A1 (0.45) ALDH1A1DDB1CRBN
SCHEMBL11321667 0.67 DDB1 (0.50) HCAR2LMNAALDH1A1MAPK1L3MBTL1
SCHEMBL16370383 0.66 ALDH1A1 (0.44) ALDH1A1MAPK1L3MBTL1DDB1CRBN
SCHEMBL2905233 0.66 HCAR2 (0.36) HCAR2PKMCA12AKR1B10AKR1B1
SCHEMBL12027689 0.66 ALDH1A1 (0.55) ALDH1A1MAPK1L3MBTL1DDB1CRBN
SCHEMBL31158250 0.66 HCAR2 (0.31) HCAR2
SCHEMBL17685852 0.65 ALDH1A1 (0.36) HCAR2ALDH1A1MAPK1L3MBTL1DDB1

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-5614555-A Amidinophenol derivatives ONO PHARMACEUTICAL CO., LTD. (JP) 1997-03-25 US disclosed