SCHEMBL9750893

SCHEMBL9750893

Cc1c(-c2ccc(F)cc2)c(C(=O)O)c(C(C)C)n1-c1ccccc1

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 2/20 0.52
ALDH1A1 P00352 2/20 0.52
L3MBTL1 Q9Y468 2/20 0.52
TDP1 Q9NUW8 1/20 0.52
HMGCR P04035 5/20 0.46
NOTUM Q6P988 2/20 0.41
AR P10275 1/20 0.41
DHODH Q02127 2/20 0.38
GAA P10253 1/20 0.38
GFER P55789 1/20 0.38
HDAC1 Q13547 2/20 0.38
HDAC2 Q92769 2/20 0.38
HDAC6 Q9UBN7 2/20 0.38
MAPT P10636 1/20 0.38
ATM Q13315 1/20 0.38
MYC P01106 1/20 0.38
MEN1 O00255 1/20 0.37
KMT2A Q03164 1/20 0.37
NR1I2 O75469 1/20 0.37
ABCB11 O95342 1/20 0.37

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
SCHEMBL9750808 0.87 HMGCR (0.51) KDM4EALDH1A1L3MBTL1TDP1HMGCR
SCHEMBL9518614 0.80 HMGCR (0.48) KDM4EALDH1A1L3MBTL1TDP1HMGCR
SCHEMBL9518289 0.80 HMGCR (0.47) KDM4EALDH1A1L3MBTL1TDP1HMGCR
SCHEMBL9750899 0.76 HMGCR (0.46) KDM4EALDH1A1L3MBTL1TDP1HMGCR
SCHEMBL9750902 0.76 HMGCR (0.46) KDM4EALDH1A1L3MBTL1TDP1HMGCR
SCHEMBL9655512 0.74 KDM4E (0.46) KDM4EALDH1A1L3MBTL1TDP1HMGCR
SCHEMBL9695120 0.74 KDM4E (0.46) KDM4EALDH1A1L3MBTL1TDP1HMGCR
SCHEMBL9750852 0.74 HMGCR (0.53) KDM4EALDH1A1L3MBTL1TDP1HMGCR
SCHEMBL9750820 0.73 AR (0.71) KDM4EALDH1A1HMGCRARGAA
SCHEMBL9441634 0.72 MEN1 (0.56) KDM4EALDH1A1L3MBTL1TDP1DHODH

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-5055484-A Anticholesterol and antilipemic agent HOECHST AKTIENGESELLSCHAFT (DE) 1991-10-08 US disclosed