SCHEMBL9724009

SCHEMBL9724009

CC[C@@](O)(Cc1ccc(N)cc1)C(=O)O

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
FDPS P14324 1/20 0.46
BLM P54132 2/20 0.43
SMN1; SMN2 Q16637 1/20 0.40
HIF1A Q16665 1/20 0.40
PPIB P23284 1/20 0.39
PPIA P62937 1/20 0.39
PPID Q08752 1/20 0.39
PPIG Q13427 1/20 0.39
ALDH1A1 P00352 4/20 0.38
LMNA P02545 3/20 0.38
CYP3A4 P08684 3/20 0.38
MAOA P21397 3/20 0.38
CYP1A2 P05177 2/20 0.38
KMT2A Q03164 2/20 0.38
HTT P42858 1/20 0.38
SLC13A5 Q86YT5 2/20 0.37
EPHX2 P34913 1/20 0.37
TDP1 Q9NUW8 2/20 0.37
GFER P55789 1/20 0.37
TSHR P16473 1/20 0.37

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
SCHEMBL5343038 0.85 BLM (0.56) BLMALDH1A1LMNAKMT2AHTT
SCHEMBL687447 0.85 SMN1; SMN2 (0.52) FDPSSMN1; SMN2HIF1AALDH1A1LMNA
SCHEMBL7908766 0.85 SMN1; SMN2 (0.52) FDPSSMN1; SMN2HIF1AALDH1A1LMNA
SCHEMBL7908936 0.85 SMN1; SMN2 (0.52) FDPSSMN1; SMN2HIF1AALDH1A1LMNA
SCHEMBL8740577 0.84 KDM4E (0.45) BLMALDH1A1LMNAKMT2AHTT
SCHEMBL2241052 0.81 LDHA (0.49) SMN1; SMN2ALDH1A1LMNAHTTKDM4E
SCHEMBL9658100 0.79 BLM (0.44) FDPSBLMSMN1; SMN2HIF1APPIB
SCHEMBL5160750 0.78 CYP2C19 (0.48) ALDH1A1CYP1A2TDP1TSHRPOLB
SCHEMBL5160741 0.78 CYP2C19 (0.48) ALDH1A1CYP1A2TDP1TSHRPOLB
SCHEMBL2164197 0.76 PTPRC (0.37) BLMSMN1; SMN2ALDH1A1LMNACYP3A4

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-5095006-A Enzyme inhibitors BAYER AKTIENGESELLSCHAFT (DE) 1992-03-10 US disclosed