SCHEMBL11247014

SCHEMBL11247014

Cc1c(O)ccc(C(=O)c2ccccc2F)c1C

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CES2 O00748 1/20 0.47
CES1 P23141 1/20 0.47
MEN1 O00255 4/20 0.47
KMT2A Q03164 4/20 0.47
HSD17B10 Q99714 2/20 0.47
GAA P10253 1/20 0.44
ALDH1A1 P00352 4/20 0.44
ALOX15 P16050 1/20 0.44
MAPT P10636 4/20 0.43
RAB9A P51151 2/20 0.42
TDP1 Q9NUW8 2/20 0.42
CYP3A4 P08684 2/20 0.42
CYP2C9 P11712 2/20 0.42
KDM4E B2RXH2 1/20 0.42
GMNN O75496 1/20 0.42
LMNA P02545 1/20 0.42
TTR P02766 1/20 0.42
TP53 P04637 1/20 0.42
THRB P10828 1/20 0.42
HPGD P15428 1/20 0.42

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
SCHEMBL4132989 0.83 NPC1 (0.42) MEN1KMT2AHSD17B10GAAALDH1A1
SCHEMBL30293901 0.79 CES2 (0.71) CES2CES1MEN1KMT2AGAA
SCHEMBL11244683 0.79 SMN1; SMN2 (0.51) CES2CES1MEN1KMT2AHSD17B10
SCHEMBL250099 0.79 CES2 (0.71) CES2CES1MEN1KMT2AGAA
SCHEMBL30070831 0.78 CSNK2A1 (0.53) CES2CES1MEN1KMT2AHSD17B10
SCHEMBL21486405 0.78 CSNK2A1 (0.53) CES2CES1MEN1KMT2AHSD17B10
SCHEMBL31220395 0.77 CES2 (0.58) CES2CES1MEN1KMT2AHSD17B10
SCHEMBL9390040 0.77 CES2 (0.58) CES2CES1MEN1KMT2AHSD17B10
SCHEMBL11241888 0.77 MGLL (0.39) CES2CES1MEN1KMT2AHSD17B10
SCHEMBL31574193 0.77 CES2 (0.68) CES2CES1MEN1KMT2AGAA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-4337261-A (1,2-Benzisoxazol)phenoxyacetic acids as diuretics HOECHST-ROUSSEL PHARMACEUTICALS INC. (US) 1982-06-29 US disclosed
EP-0045078-A1 (1,2-Benzisoxazol)phenoxyacetic acids and related compounds HOECHST-ROUSSEL PHARMACEUTICALS INCORPORATED (US) 1982-02-03 EP disclosed