SCHEMBL9631351

SCHEMBL9631351

CCC(N)C(O)c1cc(C)ccc1C

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TDP1 Q9NUW8 3/20 0.44
KDM4E B2RXH2 1/20 0.44
MAPK1 P28482 1/20 0.44
ALDH1A1 P00352 2/20 0.36
TAAR1 Q96RJ0 1/20 0.35
CYP2C9 P11712 1/20 0.34
KMT2A Q03164 2/20 0.33
POLB P06746 1/20 0.33
HTT P42858 1/20 0.33
TACR1 P25103 1/20 0.33
DPP8 Q6V1X1 2/20 0.33
DPP9 Q86TI2 2/20 0.33
LMNA P02545 2/20 0.33
DPP7 Q9UHL4 1/20 0.33
TRPA1 O75762 1/20 0.32
CHRM1 P11229 1/20 0.32
SLC6A2 P23975 1/20 0.32
ADRA1A P35348 1/20 0.32
HTR2B P41595 1/20 0.32
TP53 P04637 1/20 0.32

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
SCHEMBL9632676 0.86 PDE5A (0.35) TDP1KDM4EMAPK1ALDH1A1TAAR1
SCHEMBL9631927 0.80 ADRA2A (0.49) TDP1KDM4EMAPK1ALDH1A1KMT2A
SCHEMBL9203944 0.79 KDM4E (0.43) TDP1KDM4EMAPK1ALDH1A1LMNA
SCHEMBL7783897 0.79 ADRA1A (0.42) TDP1KDM4EMAPK1ALDH1A1KMT2A
SCHEMBL5057097 0.79 ADRA1A (0.42) TDP1KDM4EMAPK1ALDH1A1KMT2A
Hydrochloric Acid SCHEMBL8781949 0.78 BLM (0.44) TDP1KDM4EMAPK1ALDH1A1KMT2A
SCHEMBL19231144 0.77 ALDH1A1 (0.41) TDP1KDM4EALDH1A1TAAR1KMT2A
SCHEMBL9094407 0.77 HTT (0.40) TDP1MAPK1ALDH1A1TAAR1KMT2A
SCHEMBL8133440 0.77 HTT (0.40) TDP1MAPK1ALDH1A1TAAR1KMT2A
SCHEMBL8284306 0.77 ALDH1A1 (0.41) TDP1KDM4EALDH1A1TAAR1KMT2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-5145998-A Reduction of oxime or silyloxime SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 1992-09-08 US disclosed
EP-0237305-B1 A METHOD FOR PRODUCING OPTICALLY ACTIVE AMINES SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 1992-06-03 EP disclosed
EP-0237305-A2 A method for producing optically active amines SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 1987-09-16 EP disclosed