SCHEMBL9566941

SCHEMBL9566941

CCc1ccc2c(C)c(Cc3ccccc3C(=O)O)c(=O)[nH]c2c1

nearest known ligand 0.48

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
▸ KIF11 P52732 1/20 0.42
▸ POLB P06746 1/20 0.42
▸ RAB9A P51151 1/20 0.41
▸ TSHR P16473 3/20 0.41
▸ PDE3B Q13370 2/20 0.40
▸ PDE3A Q14432 2/20 0.40
▸ KDM4E B2RXH2 3/20 0.39
▸ ALDH1A1 P00352 2/20 0.39
▸ DAO P14920 1/20 0.39
▸ PARP1 P09874 1/20 0.39
▸ MEN1 O00255 2/20 0.39
▸ KMT2A Q03164 2/20 0.39
▸ HSD17B10 Q99714 1/20 0.39
▸ CYP2C9 P11712 2/20 0.39
▸ PTGES O14684 1/20 0.39
▸ CYP1A2 P05177 1/20 0.38
▸ CYP3A4 P08684 1/20 0.38
▸ TDP1 Q9NUW8 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
SCHEMBL9566925 0.89 PDE3B (0.45) KIF11RAB9ATSHRPDE3BPDE3A
SCHEMBL9566894 0.81 KIF11 (0.43) KIF11RAB9ATSHRKDM4EALDH1A1
SCHEMBL27388577 0.78 PTGS2 (0.53) KIF11RAB9ATSHRKDM4EALDH1A1
SCHEMBL27532886 0.78 KIF11 (0.50) KIF11RAB9ATSHRPDE3BPDE3A
SCHEMBL27410225 0.77 DAO (0.49) KIF11RAB9ATSHRKDM4EALDH1A1
SCHEMBL9312351 0.76 DAO (0.44) KIF11RAB9ATSHRKDM4EDAO
SCHEMBL27420343 0.76 KDM4E (0.46) KIF11POLBRAB9ATSHRKDM4E
SCHEMBL27413181 0.76 DAO (0.48) KIF11KDM4EDAOCYP2C9PTGES
SCHEMBL27532885 0.75 PDE9A (0.49) KIF11RAB9ATSHRKDM4EALDH1A1
SCHEMBL9309057 0.75 PARP1 (0.48) KIF11KDM4EALDH1A1DAOPARP1

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
EP-0561252-A1 2-Oxoquinoline derivatives as angiotensin II antagonists MERCK PATENT GmbH (DE) 1993-09-22 — — EP disclosed
Send feedback