SCHEMBL8566735

SCHEMBL8566735

CNC(=O)CCc1ccc(OC)cc1C

nearest known ligand 0.64

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
MTNR1A P48039 3/20 0.61
MEN1 O00255 2/20 0.56
KMT2A Q03164 2/20 0.56
HSD17B1 P14061 1/20 0.53
HSD17B2 P37059 1/20 0.53
ALDH1A1 P00352 3/20 0.53
HPGD P15428 1/20 0.53
APOBEC3A P31941 1/20 0.53
APOBEC3G Q9HC16 1/20 0.53
POLB P06746 2/20 0.50
HTT P42858 1/20 0.46
MMP2 P08253 1/20 0.45
MMP9 P14780 1/20 0.45
ADAM17 P78536 1/20 0.45
MTNR1B P49286 2/20 0.45
PCNA P12004 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
SCHEMBL3316261 0.85 MTNR1A (0.61) MTNR1AHSD17B1HSD17B2POLBMMP2
SCHEMBL8569927 0.84 MEN1 (0.49) MTNR1AMEN1KMT2AHSD17B1HSD17B2
SCHEMBL63388 0.84 KMT2A (0.55) MTNR1AMEN1KMT2AALDH1A1HPGD
SCHEMBL25648716 0.83 POLB (0.71) MEN1KMT2AALDH1A1HPGDAPOBEC3A
SCHEMBL24483184 0.78 KMT2A (0.62) MTNR1AMEN1KMT2AALDH1A1HPGD
SCHEMBL7199212 0.78 KMT2A (0.58) MEN1KMT2AALDH1A1HPGDPOLB
SCHEMBL8017020 0.76 MTNR1A (1.00) MTNR1AMTNR1B
SCHEMBL12228278 0.76 F2RL1 (0.69) MEN1KMT2AHSD17B1HSD17B2ALDH1A1
SCHEMBL24202101 0.76 HTR2A (0.55) MTNR1AMEN1KMT2AALDH1A1HPGD
SCHEMBL12226957 0.75 CYP2D6 (0.53) MEN1KMT2AALDH1A1HPGDAPOBEC3A

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
US-5846990-A Substituted biphenyl isoxazole sulfonamides BRISTOL-MYERS SQUIBB CO. (US) 1998-12-08 US claimed