SCHEMBL9632676

SCHEMBL9632676

CCCC(N)C(O)c1cc(C)ccc1C

nearest known ligand 0.35

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
PDE5A O76074 1/20 0.35
TDP1 Q9NUW8 2/20 0.34
ALDH1A1 P00352 1/20 0.34
TAS1R3 Q7RTX0 3/20 0.33
TAS1R1 Q7RTX1 3/20 0.33
KCNH2 Q12809 2/20 0.33
TAAR1 Q96RJ0 1/20 0.33
AOC3 Q16853 2/20 0.33
POLB P06746 1/20 0.32
KMT2A Q03164 1/20 0.32
TACR1 P25103 1/20 0.32
HTT P42858 1/20 0.32
KDM4E B2RXH2 1/20 0.32
MAPK1 P28482 1/20 0.32
LMNA P02545 1/20 0.31

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
SCHEMBL9631351 0.86 TDP1 (0.44) TDP1ALDH1A1TAAR1POLBKMT2A
SCHEMBL27563086 0.79 PDE5A (0.43) PDE5ATDP1ALDH1A1TAS1R3TAS1R1
SCHEMBL7783897 0.77 ADRA1A (0.42) TDP1ALDH1A1POLBKMT2AKDM4E
SCHEMBL5057097 0.77 ADRA1A (0.42) TDP1ALDH1A1POLBKMT2AKDM4E
Hydrochloric Acid SCHEMBL8781949 0.75 BLM (0.44) TDP1ALDH1A1POLBKMT2AKDM4E
Alcohol SCHEMBL4169316 0.74 POLB (0.40) TDP1ALDH1A1TAAR1POLBKMT2A
SCHEMBL4161041 0.72 LMNA (0.42) TDP1ALDH1A1TAAR1POLBKMT2A
SCHEMBL4178220 0.72 LMNA (0.42) TDP1ALDH1A1TAAR1POLBKMT2A
SCHEMBL4169342 0.72 LMNA (0.42) TDP1ALDH1A1TAAR1POLBKMT2A
SCHEMBL19231144 0.71 ALDH1A1 (0.41) TDP1ALDH1A1TAAR1POLBKMT2A

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