SCHEMBL9730659

SCHEMBL9730659

Cc1[nH]c2ccc(F)c3c2c1C(C(=O)O)CC3

nearest known ligand 0.38

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
SIRT1 Q96EB6 6/20 0.38
MTNR1A P48039 2/20 0.33
MTNR1B P49286 2/20 0.33
KDM4E B2RXH2 1/20 0.31
POLB P06746 1/20 0.31
MAPT P10636 1/20 0.31
TDP1 Q9NUW8 1/20 0.31
MAPKAPK2 P49137 1/20 0.31
RECQL P46063 1/20 0.30
SIRT2 Q8IXJ6 1/20 0.30
AR P10275 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
SCHEMBL9729975 0.88 SIRT1 (0.43) SIRT1MTNR1AMTNR1BRECQLSIRT2
SCHEMBL9643988 0.78 MTNR1A (0.33) SIRT1MTNR1AMTNR1BRECQLSIRT2
SCHEMBL9729760 0.76 MTNR1A (0.35) SIRT1MTNR1AMTNR1BKDM4EPOLB
SCHEMBL9644376 0.75 MTNR1A (0.33) MTNR1AMTNR1B
SCHEMBL7741198 0.64 SIRT1 (0.43) SIRT1MTNR1AMTNR1BRECQLSIRT2
SCHEMBL24482365 0.63 TRPM8 (0.44)
SCHEMBL15546942 0.62 PKM (0.39) KDM4EMAPT
SCHEMBL3671656 0.62 SIRT1 (0.85) SIRT1KDM4EMAPTRECQLSIRT2
SCHEMBL4895997 0.62 SIRT1 (0.44) SIRT1AR
SCHEMBL4916175 0.60 KDM4E (0.50) KDM4EPOLBMAPT

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-5079258-A Enzyme inhibitors, antiallergens treatment of asthma BAYER AKTIENGESELLSCHAFT (DE) 1992-01-07 US disclosed