SCHEMBL8310671

SCHEMBL8310671

O=C1NC(=O)C(Cc2ccc(OC[C@H]3CC[C@H](COc4ccc(CC5SC(=O)NC5=O)cc4)CC3)cc2)S1

nearest known ligand 0.63

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
FFAR1 O14842 7/20 0.63
PPARA Q07869 2/20 0.63
MAPT P10636 2/20 0.61
CYP3A4 P08684 2/20 0.61
MEN1 O00255 1/20 0.61
ALDH1A1 P00352 1/20 0.61
TP53 P04637 1/20 0.61
CYP1A2 P05177 1/20 0.61
HPGD P15428 1/20 0.61
ALOX15 P16050 1/20 0.61
TSHR P16473 1/20 0.61
KMT2A Q03164 1/20 0.61
HSD17B10 Q99714 1/20 0.61
TDP1 Q9NUW8 1/20 0.61
HRH3 Q9Y5N1 1/20 0.60
PPARG P37231 12/20 0.59
MPC2 O95563 2/20 0.56
CYP2C8 P10632 2/20 0.56
CYP2C9 P11712 2/20 0.56
RXRA P19793 1/20 0.54

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
SCHEMBL8310673 1.00 FFAR1 (0.63) FFAR1PPARAMAPTCYP3A4MEN1
SCHEMBL1299773 0.95 HPGD (0.62) FFAR1PPARAMAPTCYP3A4MEN1
SCHEMBL11033260 0.94 HPGD (0.58) FFAR1PPARAMAPTCYP3A4MEN1
SCHEMBL1300284 0.94 HPGD (0.64) FFAR1PPARAMAPTCYP3A4MEN1
SCHEMBL1074758 0.86 MAPT (0.55) FFAR1PPARAMAPTCYP3A4MEN1
SCHEMBL9570670 0.84 FFAR1 (0.71) FFAR1PPARAMAPTCYP3A4MEN1
SCHEMBL3399407 0.84 MAPT (0.62) FFAR1PPARAMAPTCYP3A4MEN1
SCHEMBL1299561 0.83 HRH3 (0.63) FFAR1PPARAMAPTCYP3A4MEN1
SCHEMBL16474084 0.83 HPGD (0.49) FFAR1PPARAMAPTCYP3A4MEN1
SCHEMBL9570574 0.83 FFAR1 (0.69) FFAR1PPARAMAPTCYP3A4MEN1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0597102-B1 NOVEL BISHETEROCYCLIC DERIVATIVE OR SALT THEREOF AND HYPOGLYCEMIC COMPOSITION YAMANOUCHI PHARMA CO LTD (JP) 1999-01-07 EP claimed
EP-0597102-A1 NOVEL BISHETEROCYCLIC DERIVATIVE OR SALT THEREOF YAMANOUCHI PHARMACEUTICAL CO. LTD. (JP) 1994-05-18 EP claimed
EP-0597102-B1 NOVEL BISHETEROCYCLIC DERIVATIVE OR SALT THEREOF AND HYPOGLYCEMIC COMPOSITION YAMANOUCHI PHARMA CO LTD (JP) 1999-01-07 EP disclosed
US-5508296-A HYPOGLYCEMIC AGENTS YAMANOUCHI PHARMACEUTICAL CO., LTD. (JP) 1996-04-16 US disclosed
EP-0597102-A1 NOVEL BISHETEROCYCLIC DERIVATIVE OR SALT THEREOF YAMANOUCHI PHARMACEUTICAL CO. LTD. (JP) 1994-05-18 EP disclosed