SCHEMBL3663852

SCHEMBL3663852

CC(C)(C)c1ccc(-c2noc(CBr)c2C(=O)O)cc1

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
DHODH Q02127 1/20 0.43
PTGS2 P35354 2/20 0.42
GAA P10253 2/20 0.41
KDM4E B2RXH2 1/20 0.41
TP53 P04637 3/20 0.40
RAB9A P51151 3/20 0.40
SMN1; SMN2 Q16637 2/20 0.40
KLF5 Q13887 1/20 0.40
NPC1 O15118 2/20 0.39
CYP1A2 P05177 2/20 0.39
CYP2C19 P33261 2/20 0.39
CYP2C9 P11712 1/20 0.39
NR1H4 Q96RI1 2/20 0.39
PTGS1 P23219 1/20 0.39
PDE3A Q14432 1/20 0.39
ALDH1A1 P00352 1/20 0.38
TSHR P16473 1/20 0.38
MEN1 O00255 2/20 0.38
KMT2A Q03164 2/20 0.38
SRD5A2 P31213 1/20 0.37

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
SCHEMBL2777087 0.83 THRB (0.43) DHODHPTGS2GAAKDM4ETP53
SCHEMBL2774983 0.74 GPBAR1 (0.47) DHODHPTGS2GAAKDM4ESMN1; SMN2
SCHEMBL2473730 0.72 PTGS1 (0.61) PTGS2GAASMN1; SMN2CYP1A2CYP2C19
SCHEMBL2775786 0.71 TSHR (0.52) GAAKDM4ERAB9ASMN1; SMN2NPC1
SCHEMBL2776718 0.70 TSHR (0.54) GAAKDM4ERAB9ASMN1; SMN2NPC1
SCHEMBL2777734 0.70 POLB (0.54) GAAKDM4ESMN1; SMN2NPC1CYP1A2
SCHEMBL457305 0.69 GHSR (0.47) GAAKDM4ETP53RAB9ASMN1; SMN2
SCHEMBL2470830 0.69 PTGS1 (0.54) PTGS2GAACYP1A2CYP2C19CYP2C9
SCHEMBL2775977 0.69 ALDH1A1 (0.50) PTGS2GAAKDM4ETP53RAB9A
SCHEMBL2776047 0.69 GPBAR1 (0.48) KDM4ETP53SMN1; SMN2CYP1A2CYP2C19

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
EP-2227475-A1 ISOXAZOLOPYRIDINE DERIVATIVES FOR USE IN THE TREATMENT OF HIF-MEDIATED CONDITIONS Fibrogen, Inc. (US) 2010-09-15 EP disclosed
WO-2009073669-A1 ISOXAZOLOPYRIDINE DERIVATIVES FOR USE IN THE TREATMENT OF HIF-MEDIATED CONDITIONS FIBROGEN, INC. (US) 2009-06-11 WO disclosed