SCHEMBL9257799

SCHEMBL9257799

O=C1C=C(c2ccc(Cc3ccccc3)cc2)C(O)O1

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CA12 O43570 1/20 0.38
CA1 P00915 1/20 0.38
CA2 P00918 1/20 0.38
CA9 Q16790 1/20 0.38
CA14 Q9ULX7 1/20 0.38
LMNA P02545 2/20 0.38
XDH P47989 1/20 0.38
PLA2G10 O15496 1/20 0.38
PLA2G2A P14555 1/20 0.38
CALM1 P0DP23 1/20 0.38
MEN1 O00255 2/20 0.37
KMT2A Q03164 2/20 0.37
POLB P06746 1/20 0.37
PTGES O14684 1/20 0.35
IDH1 O75874 1/20 0.35
MGLL Q99685 2/20 0.35
HNF4A P41235 1/20 0.34
CYP3A4 P08684 1/20 0.34
IP6K1 Q92551 1/20 0.34
IP6K3 Q96PC2 1/20 0.34

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
SCHEMBL5261044 0.85 LMNA (0.44) LMNAMEN1KMT2APOLB
SCHEMBL9782120 0.78 LMNA (0.41) CA12CA1CA2CA9CA14
SCHEMBL9266699 0.78 MAPT (0.39) LMNAMEN1KMT2AIP6K1MAOA
SCHEMBL9266806 0.78 MAPT (0.39) LMNAMEN1KMT2AIP6K1MAOA
SCHEMBL18748184 0.77 CALM1 (0.38) PLA2G10PLA2G2ACALM1MEN1KMT2A
SCHEMBL18748183 0.75 KDM4E (0.37) LMNAMAOAMAOB
SCHEMBL1375987 0.71 BACE1 (0.44) MEN1KMT2A
SCHEMBL9269316 0.70 MAOA (0.40) LMNAMEN1KMT2AMAOAMAOB
SCHEMBL9271143 0.69 ACACB (0.38)
SCHEMBL9264386 0.69 GSTP1 (0.41) MEN1KMT2AIP6K1IP6K3IP6K2

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-5464865-A Enzyme inhibitors as antiinflammatory agents ORTHO PHARMACEUTICAL CORPORATION (US) 1995-11-07 US disclosed