SCHEMBL7953253

SCHEMBL7953253

CCOC(C)=C(C#N)C(N)=O

nearest known ligand 0.43

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
ALOX15 P16050 1/20 0.43
ALDH1A1 P00352 5/20 0.42
L3MBTL1 Q9Y468 3/20 0.42
TSHR P16473 4/20 0.42
LMNA P02545 1/20 0.39
HSD17B10 Q99714 1/20 0.39
TP53 P04637 3/20 0.39
MAPK10 P53779 4/20 0.39
CYP2C9 P11712 1/20 0.37
KDM4E B2RXH2 1/20 0.36
MEN1 O00255 1/20 0.36
MAPT P10636 1/20 0.36
KMT2A Q03164 1/20 0.36
SMN1; SMN2 Q16637 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
SCHEMBL7953251 1.00 ALOX15 (0.43) ALOX15ALDH1A1L3MBTL1TSHRLMNA
SCHEMBL238243 0.82 ALDH1A1 (0.53) ALDH1A1L3MBTL1TSHRLMNAHSD17B10
SCHEMBL4525123 0.82 ALDH1A1 (0.44) ALOX15ALDH1A1L3MBTL1TSHRLMNA
SCHEMBL238242 0.82 ALDH1A1 (0.53) ALDH1A1L3MBTL1TSHRLMNAHSD17B10
SCHEMBL601377 0.82 ALDH1A1 (0.44) ALOX15ALDH1A1L3MBTL1TSHRLMNA
SCHEMBL238244 0.82 ALDH1A1 (0.53) ALDH1A1L3MBTL1TSHRLMNAHSD17B10
SCHEMBL601376 0.82 ALDH1A1 (0.44) ALOX15ALDH1A1L3MBTL1TSHRLMNA
SCHEMBL3865587 0.80 ALOX15 (0.38) ALOX15ALDH1A1L3MBTL1TSHRLMNA
SCHEMBL3865591 0.80 ALOX15 (0.38) ALOX15ALDH1A1L3MBTL1TSHRLMNA
SCHEMBL3865590 0.80 ALOX15 (0.38) ALOX15ALDH1A1L3MBTL1TSHRLMNA

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
US-6218397-B1 FOR THERAPY OF STRESS-RELATED ILLNESSES, SUCH AS STRESS-INDUCED DEPRESSION, ANXIETY, AND HEADACHE; ABDOMINAL BOWEL SYNDROME; INFLAMMATORY DISEASES; IMMUNE SUPPRESSION; ALZHEIMER'S DISEASE; GASTRONINTESTINAL DISEASES PFIZER INC 2001-04-17 US disclosed
EP-0674642-B1 PYRAZOLOPYRIMIDINES AS CRF ANTAGONISTS PFIZER (US) 2000-08-23 EP disclosed
EP-0674642-A1 PYRAZOLOPYRIMIDINES AS CRF ANTAGONISTS PFIZER INC. (US) 1995-10-04 EP disclosed
WO-1994024095-A1 IMMUNOSUPPRESSIVE AGENTS ABBOTT LABORATORIES (US) 1994-10-27 WO disclosed
WO-1994013677-A1 PYRAZOLOPYRIMIDINES AS CRF ANTAGONISTS PFIZER INC. (US) 1994-06-23 WO disclosed