SCHEMBL7316607

SCHEMBL7316607

COCCCCCCOc1ccc(-c2nnc(-c3ccc(C(=O)O)cc3)s2)cc1

nearest known ligand 0.65

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
NR1H4 Q96RI1 1/20 0.65
RARB P10826 4/20 0.59
CSNK2A2 P19784 6/20 0.57
CSNK2A1 P68400 6/20 0.57
HDAC1 Q13547 3/20 0.57
HDAC2 Q92769 3/20 0.57
HDAC6 Q9UBN7 1/20 0.57
TP53 P04637 1/20 0.56
TSHR P16473 1/20 0.56
PLA2G4B P0C869 1/20 0.55
HTT P42858 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
SCHEMBL7317106 1.00 NR1H4 (0.65) NR1H4RARBCSNK2A2CSNK2A1HDAC1
SCHEMBL7341006 1.00 NR1H4 (0.65) NR1H4RARBCSNK2A2CSNK2A1HDAC1
SCHEMBL7316179 1.00 NR1H4 (0.65) NR1H4RARBCSNK2A2CSNK2A1HDAC1
SCHEMBL6539567 0.90 RARB (0.75) NR1H4RARBCSNK2A2CSNK2A1TP53
SCHEMBL7332564 0.90 RARB (0.75) NR1H4RARBCSNK2A2CSNK2A1TP53
SCHEMBL7321811 0.90 HDAC1 (0.66) NR1H4RARBCSNK2A2CSNK2A1HDAC1
SCHEMBL7319177 0.89 MAPT (0.56) NR1H4RARBCSNK2A2CSNK2A1HDAC1
SCHEMBL7324575 0.89 MAPT (0.56) NR1H4RARBCSNK2A2CSNK2A1HDAC1
SCHEMBL7397503 0.89 MAPT (0.56) NR1H4RARBCSNK2A2CSNK2A1HDAC1
SCHEMBL5969241 0.88 RARB (0.72) NR1H4RARBCSNK2A2CSNK2A1TP53

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
US-6232290-B1 FUNGICIDES AGAINST PNEUMOCYSTIS FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 2001-05-15 US disclosed
EP-1053247-A1 ANTIFUNGAL CYCLOHEXAPEPTIDES FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 2000-11-22 EP disclosed
WO-1999040108-A1 NEW COMPOUND FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 1999-08-12 WO disclosed