SCHEMBL9003133

SCHEMBL9003133

COC(=O)C(Cc1ccccc1)=C(C)N

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 5/20 0.44
LMNA P02545 2/20 0.44
F2 P00734 1/20 0.44
PRSS1 P07477 1/20 0.44
PRSS2 P07478 1/20 0.44
PRSS3 P35030 1/20 0.44
KDM4E B2RXH2 1/20 0.44
CES2 O00748 1/20 0.44
CES1 P23141 1/20 0.44
AKR1B1 P15121 1/20 0.44
RAB9A P51151 2/20 0.43
MAPT P10636 2/20 0.43
SMN1; SMN2 Q16637 2/20 0.43
MEN1 O00255 1/20 0.43
KMT2A Q03164 1/20 0.43
HDAC8 Q9BY41 1/20 0.43
HDAC6 Q9UBN7 1/20 0.43
TSHR P16473 1/20 0.42
NPC1 O15118 2/20 0.42
L3MBTL1 Q9Y468 2/20 0.42

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
SCHEMBL9003128 1.00 ALDH1A1 (0.44) ALDH1A1LMNAF2PRSS1PRSS2
SCHEMBL800468 0.86 CES2 (0.47) ALDH1A1LMNAKDM4ECES2CES1
SCHEMBL305361 0.84 CES2 (0.45) ALDH1A1LMNAKDM4ECES2CES1
SCHEMBL305363 0.84 CES2 (0.45) ALDH1A1LMNAKDM4ECES2CES1
SCHEMBL9003247 0.83 MEN1 (0.46) ALDH1A1CES2CES1AKR1B1MAPT
SCHEMBL9003251 0.83 MEN1 (0.46) ALDH1A1CES2CES1AKR1B1MAPT
Ammonia Solution, Strong SCHEMBL28740949 0.83 ALDH1A1 (0.44) ALDH1A1LMNAKDM4ECES2CES1
SCHEMBL9003508 0.82 CES1 (0.50) ALDH1A1CES2CES1AKR1B1MEN1
SCHEMBL9003513 0.82 CES1 (0.50) ALDH1A1CES2CES1AKR1B1MEN1
SCHEMBL5814056 0.82 CES1 (0.50) ALDH1A1LMNACES2CES1AKR1B1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0326389-B1 Process for preparing 4-hydroxypyrimidine UBE INDUSTRIES (JP) 1996-09-11 EP claimed
US-4935516-A Process for preparing 4-hydroxypyrimidine UBE INDUSTRIES, LTD. (JP) 1990-06-19 US claimed
EP-0326389-A2 Process for preparing 4-hydroxypyrimidine UBE INDUSTRIES, LTD. (JP) 1989-08-02 EP claimed
EP-0326389-B1 Process for preparing 4-hydroxypyrimidine UBE INDUSTRIES (JP) 1996-09-11 EP disclosed
US-4935516-A Process for preparing 4-hydroxypyrimidine UBE INDUSTRIES, LTD. (JP) 1990-06-19 US disclosed
EP-0326389-A2 Process for preparing 4-hydroxypyrimidine UBE INDUSTRIES, LTD. (JP) 1989-08-02 EP disclosed