SCHEMBL27587717

SCHEMBL27587717

COc1cccc(N(C(N)=O)c2ccccc2O)c1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MTNR1A P48039 5/20 0.46
MTNR1B P49286 5/20 0.46
PARP1 P09874 1/20 0.45
HDAC4 P56524 1/20 0.42
HDAC8 Q9BY41 1/20 0.42
HSD17B2 P37059 3/20 0.42
HSD17B1 P14061 2/20 0.42
L3MBTL1 Q9Y468 1/20 0.42
LMNA P02545 1/20 0.41
CYP1A2 P05177 1/20 0.41
PGR P06401 1/20 0.41
CYP3A4 P08684 1/20 0.41
ADORA3 P0DMS8 1/20 0.41
AR P10275 1/20 0.41
CHRM1 P11229 1/20 0.41
HPGD P15428 1/20 0.41
ALOX15 P16050 1/20 0.41
TBXA2R P21731 1/20 0.41
SLC6A2 P23975 1/20 0.41
CYP2C19 P33261 1/20 0.41

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
SCHEMBL15779182 0.86 MTNR1A (0.46) MTNR1AMTNR1BPARP1HSD17B2HSD17B1
SCHEMBL27605653 0.85 CYP3A4 (0.44) MTNR1AMTNR1BPARP1HSD17B2HSD17B1
SCHEMBL28382188 0.85 PARP1 (0.56) MTNR1AMTNR1BPARP1HSD17B2HSD17B1
SCHEMBL7614229 0.85 MTNR1A (0.48) MTNR1AMTNR1BPARP1HSD17B2HSD17B1
SCHEMBL27500838 0.84 TRPM8 (0.43) MTNR1AMTNR1BPARP1LMNACYP1A2
SCHEMBL27556170 0.81 TP53 (0.44) MTNR1AMTNR1BPARP1HSD17B2HSD17B1
SCHEMBL27605656 0.81 RYR2 (0.39) MTNR1AMTNR1BPARP1HSD17B2HSD17B1
SCHEMBL27605751 0.81 TP53 (0.46) MTNR1AMTNR1BPARP1HSD17B2HSD17B1
SCHEMBL27605646 0.80 MAPT (0.46) LMNAHPGDMAOBTP53HTT
SCHEMBL27587725 0.80 ESR1 (0.50) MTNR1AMTNR1BPARP1HSD17B2HSD17B1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-1539816-A IL-8 receptor antagonists ʷ��˿�������ȳ�ķ���޹�˾ 2004-10-27 CN disclosed