SCHEMBL6579526

SCHEMBL6579526

COc1ccc(OC(C)=O)c2c1NC(=O)CC2

nearest known ligand 0.45

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
TSHR P16473 1/20 0.41
CBS P35520 1/20 0.39
NR3C1 P04150 1/20 0.38
KDM4E B2RXH2 3/20 0.38
ALDH1A1 P00352 2/20 0.38
HPGD P15428 2/20 0.38
TNFSF11 O14788 1/20 0.38
GLA P06280 1/20 0.38
GAA P10253 1/20 0.38
JUN P05412 1/20 0.38
NFKB1 P19838 1/20 0.38
ADRB3 P13945 1/20 0.37
PTGS1 P23219 1/20 0.37
GBA1 P04062 1/20 0.36
PIM1 P11309 1/20 0.35
BACE1 P56817 1/20 0.35
VCP P55072 1/20 0.35
DDB1 Q16531 1/20 0.34
CRBN Q96SW2 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
SCHEMBL7097075 0.86 KDM4E (0.50) KDM4EALDH1A1HPGDGLAGAA
SCHEMBL6581514 0.85 PIM1 (0.44) TSHRKDM4EALDH1A1GAAADRB3
SCHEMBL12559628 0.85 GBA1 (0.42) TSHRKDM4EALDH1A1HPGDGLA
SCHEMBL29051576 0.84 CYP4F2 (0.39) TSHRKDM4EALDH1A1GAAADRB3
SCHEMBL10567911 0.84 KDM4E (0.37) TSHRKDM4EALDH1A1GLAGAA
SCHEMBL6582027 0.80 PTGS1 (0.37) TSHRKDM4EALDH1A1GAAADRB3
SCHEMBL9385296 0.80 ADRB3 (0.43) KDM4EALDH1A1HPGDGLAGAA
SCHEMBL8921162 0.79 MAPT (0.43) KDM4EALDH1A1HPGDGLAGAA
SCHEMBL433879 0.78 KDM4E (0.42) KDM4EALDH1A1HPGDGLAGAA
SCHEMBL6582078 0.77 PDE4B (0.38) GBA1DDB1CRBN

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-1005458-B1 CARBOSTYRIL DERIVATIVES FOR INHIBITING SKIN ERYTHEMA AND/OR SKIN PIGMENTATION OTSUKA PHARMA CO LTD (JP) 2004-10-13 EP disclosed
US-6133264-A Carbostyril derivatives for inhibiting skin erythema and/or skin pigmentation OTSUKA PHARMACEUTICAL CO., LTD. (JP) 2000-10-17 US disclosed