SCHEMBL8431191

SCHEMBL8431191

CCCCC(=O)NC(C#N)C(=O)OCC

nearest known ligand 0.45

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 3/20 0.45
POLB P06746 1/20 0.45
MEN1 O00255 1/20 0.42
FAAH O00519 1/20 0.42
MAPK1 P28482 1/20 0.42
NOD1 Q9Y239 2/20 0.40
TSHR P16473 1/20 0.39
CTSB P07858 1/20 0.38
DNM1 Q05193 1/20 0.38
ALDH1A1 P00352 2/20 0.38
GAA P10253 2/20 0.38
ACACB O00763 1/20 0.38
L3MBTL1 Q9Y468 1/20 0.37
LMNA P02545 1/20 0.37
HPGD P15428 1/20 0.37
SMN1; SMN2 Q16637 1/20 0.37
MAPK8 P45983 1/20 0.36
MAPK9 P45984 1/20 0.36

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
SCHEMBL1967339 0.90 KMT2A (0.41) KMT2APOLBMEN1FAAHMAPK1
SCHEMBL1968575 0.83 RXFP1 (0.39) KMT2APOLBMEN1TSHRALDH1A1
SCHEMBL2775866 0.83 RXFP1 (0.39) KMT2APOLBMEN1TSHRALDH1A1
SCHEMBL2830973 0.83 ACACB (0.39) KMT2APOLBMEN1TSHRALDH1A1
SCHEMBL9756348 0.81 FAAH (0.46) KMT2AMEN1FAAHMAPK1NOD1
SCHEMBL7601775 0.81 ALDH1A1 (0.39) KMT2APOLBMEN1TSHRALDH1A1
SCHEMBL4955377 0.79 TSHR (0.38) KMT2APOLBMEN1TSHRALDH1A1
SCHEMBL2824469 0.79 TSHR (0.38) KMT2APOLBMEN1TSHRALDH1A1
SCHEMBL1564967 0.78 SOAT1 (0.41) KMT2APOLBMEN1TSHRALDH1A1
SCHEMBL1194168 0.78 SOAT1 (0.41) KMT2APOLBMEN1TSHRALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-5932741-A TREATING ILLNESSES RESULTING FROM ABNORMAL STIMULATION OF ENDOTHELIN RECEPTORS HOECHST MARION ROUSSEL (FR) 1999-08-03 US disclosed
US-5599830-A ANGIOTENSIN INHIBITORS ROUSSEL UCLAF (FR) 1997-02-04 US disclosed
US-5482957-A Azole derivatives, process for their preparation and their use HOECHST AKTIENGESELLSCHAFT (DE) 1996-01-09 US disclosed
US-5470867-A Imidazoles and their salts having antagonistic activity to angiotesin II recetors ROUSSEL-UCLAF (FR) 1995-11-28 US disclosed
US-5440046-A Angiotensin antagonist, hypotensive agent HOECHST AKTIENGESELLSCHAFT (DE) 1995-08-08 US disclosed
US-5412101-A Angiotensin II inhibitor ROUSSEL-UCLAF (FR) 1995-05-02 US disclosed
US-5389634-A Treating arterial hypertension, relaxing uterus, prevention of post-angioplastic restenosis ROUSSEL-UCLAF (FR) 1995-02-14 US disclosed
US-5350751-A Hypotensive agents HOECHST AKTIENGESELLSCHAFT (DE) 1994-09-27 US disclosed
US-5338756-A Angiotensin II receptor antagonists ROUSSEL UCLAF (FR) 1994-08-16 US disclosed
US-5225414-A SUBSTITUTED AZOLES, A PROCESS FOR THEIR PREPARATION, AND THEIR USE HOECHST AKTIENGESELLSCHAFT (DE) 1993-07-06 US disclosed