SCHEMBL10692756

SCHEMBL10692756

CCCSSC[C@H](NC(=O)OC(C)(C)C)C(=O)O

nearest known ligand 0.50

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
PPARA Q07869 10/20 0.50
PPARG P37231 9/20 0.50
CYP1A2 P05177 1/20 0.49
CYP2C9 P11712 1/20 0.49
CYP2C19 P33261 1/20 0.49
HTT P42858 1/20 0.49
PPARD Q03181 2/20 0.48
CTSK P43235 6/20 0.47
CTSS P25774 5/20 0.47
SMN1; SMN2 Q16637 1/20 0.45
CTSL P07711 1/20 0.41
CTSB P07858 1/20 0.41
ACE P12821 1/20 0.41
ALDH1A1 P00352 1/20 0.40
MAPT P10636 1/20 0.40

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
SCHEMBL11136103 0.95 CTSK (0.47) PPARAPPARGCYP1A2CYP2C9CYP2C19
SCHEMBL7444498 0.92 CTSK (0.49) PPARAPPARGCYP1A2CYP2C9CYP2C19
SCHEMBL432222 0.91 PPARA (0.57) PPARAPPARGCYP1A2CYP2C9CYP2C19
SCHEMBL316084 0.91 PPARA (0.57) PPARAPPARGCYP1A2CYP2C9CYP2C19
SCHEMBL5351802 0.91 PPARA (0.57) PPARAPPARGCYP1A2CYP2C9CYP2C19
SCHEMBL13489723 0.91 PPARA (0.57) PPARAPPARGCYP1A2CYP2C9CYP2C19
SCHEMBL2541324 0.91 PPARA (0.57) PPARAPPARGCYP1A2CYP2C9CYP2C19
SCHEMBL19710006 0.90 CTSK (0.51) PPARAPPARGCYP1A2CYP2C9CYP2C19
SCHEMBL13855559 0.89 CTSK (0.47) PPARAPPARGCYP1A2CYP2C9CYP2C19
SCHEMBL13852674 0.88 PPARA (0.50) PPARAPPARGCYP1A2CYP2C9CYP2C19

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-4764590-A Des-19-leucine, 20-glutamine, 21-threonine-calcitonin RORER PHARMACEUTICAL CORPORATION (US) 1988-08-16 US disclosed
EP-0172919-A1 CEPHALOSPORIN DERIVATIVES, PROCESS FOR THEIR PREPARATION, AND THEIR PHARMACEUTICAL USE TEIJIN LIMITED (JP) 1986-03-05 EP disclosed
US-4537716-A Des-serine2 or des-glycine2 -leucine22 calcitonin ARMOUR PHARMACEUTICAL CO. (US) 1985-08-27 US disclosed
US-4497732-A HORMONES ARMOUR PHARMACEUTICAL COMPANY (US) 1985-02-05 US disclosed
US-4497731-A HORMONES ARMOUR PHARMACEUTICAL COMPANY (US) 1985-02-05 US disclosed
US-4495097-A Des-serine2 -glycine8 calcitonin ARMOUR PHARMACEUTICAL COMPANY (US) 1985-01-22 US disclosed
US-4469632-A REDUCTION OF SERUM CALCIUM CONCENTRATION ARMOUR PHARMACEUTICAL COMPANY (US) 1984-09-04 US disclosed
US-4444681-A L-Tyrosine21 calcitonin ARMOUR PHARMACEUTICAL COMPANY (US) 1984-04-24 US disclosed
US-4401593-A CYCLIC POLYPEPTIDES ARMOUR PHARMACEUTICAL COMPANY (US) 1983-08-30 US disclosed
US-4397780-A SUBSTITUTION ALALOGS OF NATURAL CALCITONINS ARMOUR PHARMACEUTICAL COMPANY (US) 1983-08-09 US disclosed
US-4391747-A CALCITONIN PEPTIDES ARMOUR PHARMACEUTICAL COMPANY (US) 1983-07-05 US disclosed
US-4388235-A SYNTHETIC CALCITONIN ARMOUR PHARMACEUTICAL COMPANY (US) 1983-06-14 US disclosed
US-4217268-A CALCITONINS RHONE-POULENC RORER PHARMACEUTICALS INC. 1980-08-12 US disclosed
US-4212795-A TO FORM DISULFIDE BOND ARMOUR PHARMACEUTICAL COMPANY (US) 1980-07-15 US disclosed
US-4062815-A DIVINYLBENZENE CROSSLINKED POLYSTYRENE ARMOUR PHARMACEUTICAL COMPANY (US) 1977-12-13 US disclosed