SCHEMBL9748877

SCHEMBL9748877

COC(=O)CC(=O)CC(O)/C=C/C1=C(c2ccc(F)cc2)c2ccccc2C=CC1(C)C

nearest known ligand 0.35

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SLC6A4 P31645 1/20 0.33
SLC6A3 Q01959 1/20 0.33
HMGCR P04035 3/20 0.31
KDM4E B2RXH2 1/20 0.31
L3MBTL1 Q9Y468 1/20 0.31
MEN1 O00255 1/20 0.31
ALDH1A1 P00352 1/20 0.31
LMNA P02545 1/20 0.31
MAPT P10636 1/20 0.31
HPGD P15428 1/20 0.31
HTT P42858 1/20 0.31
KMT2A Q03164 1/20 0.31
ABCC3 O15438 1/20 0.30
ABCB11 O95342 1/20 0.30
PGR P06401 1/20 0.30
ADORA3 P0DMS8 1/20 0.30
CYP2C9 P11712 1/20 0.30
RXRA P19793 1/20 0.30
TBXA2R P21731 1/20 0.30
CCKAR P32238 1/20 0.30

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
SCHEMBL9748884 1.00 SLC6A4 (0.33) SLC6A4SLC6A3HMGCRKDM4EL3MBTL1
SCHEMBL9749709 0.80 PTGS2 (0.32) SLC6A4SLC6A3HMGCRMEN1ALDH1A1
SCHEMBL9749704 0.80 PTGS2 (0.32) SLC6A4SLC6A3HMGCRMEN1ALDH1A1
SCHEMBL10408051 0.73 HMGCR (0.35) HMGCRKDM4EALDH1A1LMNAABCC3
SCHEMBL10408048 0.73 HMGCR (0.35) HMGCRKDM4EALDH1A1LMNAABCC3
SCHEMBL9845366 0.72 HMGCR (0.35) HMGCRKDM4EALDH1A1MAPTHPGD
SCHEMBL9845407 0.70 HMGCR (0.34) HMGCRKDM4EALDH1A1LMNAABCC3
SCHEMBL9845413 0.70 HMGCR (0.34) HMGCRKDM4EALDH1A1LMNAABCC3
SCHEMBL9845410 0.70 HMGCR (0.34) HMGCRKDM4EALDH1A1LMNAABCC3
SCHEMBL9803101 0.69 ITGB1 (0.34) HMGCRABCC3ABCB11PGRADORA3

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-5114964-A Aryl-substituted benzocycloalkyl-derived anti-atherosclerotic agents RHONE-POULENC RORER PHARMACEUTICALS INC. (US) 1992-05-19 US disclosed