SCHEMBL3908489

SCHEMBL3908489

O=C(O)c1cc(O)c(F)c(Cl)c1

nearest known ligand 0.59

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TTR P02766 2/20 0.59
TPMT P51580 3/20 0.55
CA12 O43570 3/20 0.52
CA1 P00915 3/20 0.52
CA2 P00918 3/20 0.52
CA7 P43166 3/20 0.52
CA9 Q16790 3/20 0.52
CA14 Q9ULX7 3/20 0.52
KDM4E B2RXH2 2/20 0.52
MAPT P10636 2/20 0.52
CA4 P22748 2/20 0.52
CA6 P23280 2/20 0.52
ALDH1A1 P00352 1/20 0.52
LMNA P02545 1/20 0.52
TP53 P04637 1/20 0.52
CA3 P07451 1/20 0.52
SELL P14151 1/20 0.52
HPGD P15428 1/20 0.52
SELP P16109 1/20 0.52
FUT4 P22083 1/20 0.52

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
SCHEMBL667661 0.87 TTR (0.62) TTRTPMTCA12CA1CA2
SCHEMBL2431319 0.81 TTR (0.56) TTRTPMTCA12CA1CA2
SCHEMBL29738515 0.81 TTR (0.56) TTRTPMTCA12CA1CA2
SCHEMBL26690845 0.78 CA12 (0.62) TTRTPMTCA12CA1CA2
SCHEMBL30927164 0.78 TTR (0.64) TTRTPMTCA12CA1CA2
SCHEMBL30689081 0.78 TTR (0.78) TTRTPMTCA12CA1CA2
SCHEMBL1458206 0.78 TTR (0.78) TTRTPMTCA12CA1CA2
SCHEMBL31210112 0.78 CA12 (0.62) TTRTPMTCA12CA1CA2
SCHEMBL1458329 0.78 TTR (0.64) TTRTPMTCA12CA1CA2
SCHEMBL23630933 0.78 TTR (0.52) TTRTPMTCA12CA1CA2

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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2024353-A2 PYRAZOLE COMPOUNDS Pfizer Products Inc. (US) 2009-02-18 EP disclosed
WO-2007105058-A2 PYRAZOLE COMPOUNDS PFIZER PRODUCTS INC. (US) 2007-09-20 WO disclosed
WO-2007105058-A2 PYRAZOLE COMPOUNDS PFIZER PRODUCTS INC. (US) 2007-09-20 WO disclosed