SCHEMBL6847728

SCHEMBL6847728

CC(C)(C)OC(=O)N1CC(c2ccccc2)C[C@@H]1C(O)=S

nearest known ligand 0.58

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
▸ HTRA1 Q92743 1/20 0.58
▸ RORC P51449 4/20 0.43
▸ ELANE P08246 1/20 0.42
▸ MEN1 O00255 1/20 0.42
▸ KMT2A Q03164 1/20 0.42
▸ NR1H2 P55055 3/20 0.42
▸ NR1H3 Q13133 3/20 0.42
▸ TACR1 P25103 3/20 0.41
▸ HCRTR2 O43614 1/20 0.41
▸ UCHL1 P09936 1/20 0.40
▸ CYP1A2 P05177 1/20 0.40
▸ POLB P06746 1/20 0.40
▸ CYP3A4 P08684 1/20 0.40
▸ CYP2C19 P33261 1/20 0.40
▸ ABCB1 P08183 1/20 0.40
▸ GPR119 Q8TDV5 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
SCHEMBL6846913 1.00 HTRA1 (0.58) HTRA1RORCELANEMEN1KMT2A
SCHEMBL9542876 1.00 HTRA1 (0.58) HTRA1RORCELANEMEN1KMT2A
SCHEMBL205497 0.89 HTRA1 (0.60) HTRA1RORCELANEMEN1KMT2A
SCHEMBL2239296 0.89 HTRA1 (0.60) HTRA1RORCELANEMEN1KMT2A
SCHEMBL5201925 0.89 HTRA1 (0.60) HTRA1RORCELANEMEN1KMT2A
SCHEMBL1782234 0.89 HTRA1 (0.60) HTRA1RORCELANEMEN1KMT2A
SCHEMBL4195796 0.89 HTRA1 (0.60) HTRA1RORCELANEMEN1KMT2A
SCHEMBL9543379 0.89 HTRA1 (0.60) HTRA1RORCELANEMEN1KMT2A
SCHEMBL1243964 0.89 HTRA1 (0.60) HTRA1RORCELANEMEN1KMT2A
SCHEMBL5203691 0.89 HTRA1 (0.60) HTRA1RORCELANEMEN1KMT2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-6770741-B1 USEFUL IN TREATING CONDITIONS AND DISEASES OF A MAMMAL AND HUMAN IN WHICH AN EXCESS OF BRADYKININ OR RELATED KININS ARE PRODUCED OR INJECTED SUCH AS BY INSECT BITES SCIOS INC. 2004-08-03 — — US disclosed
US-6288036-B1 ANTIINFLAMMATORY, ANTIASTHMATIC, ANTIALLERGEN, AND ANALGESIC AGENTS; ARGININE-CONTAINING NONA- OR DECAPEPTIDES SCIOS INC. 2001-09-11 — — US disclosed
EP-0618810-B1 BRADYKININ ANTAGONIST PEPTIDES SCIOS NOVA INC (US) 2001-07-04 — — EP disclosed
EP-0618809-B1 BRADYKININ TYPE PEPTIDES SCIOS NOVA INC (US) 1998-08-19 — — EP disclosed
US-5385889-A Substitution of L-proline at the 7-position of the peptide hormone with a D-configuration hydroxyproline ether or thioether converts agonist into antagonist SCIOS NOVA INC. (US) 1995-01-31 — — US disclosed
EP-0618810-A4 BRADYKININ ANTAGONIST PEPTIDES. SCIOS NOVA INC (US) 1994-12-07 — — EP disclosed
EP-0618810-A1 BRADYKININ ANTAGONIST PEPTIDES SCIOS NOVA INC. (US) 1994-10-12 — — EP disclosed
WO-1992018156-A1 BRADYKININ ANTAGONIST PEPTIDES NOVA TECHNOLOGY LIMITED PARTNERSHIP (US) 1992-10-29 — — WO disclosed
Send feedback