SCHEMBL28926437

SCHEMBL28926437

C=C(c1ccc(Br)cc1)C1CCCO1

nearest known ligand 0.46

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
HPGD P15428 4/20 0.43
ALDH1A1 P00352 3/20 0.43
HTT P42858 1/20 0.43
MAPK1 P28482 1/20 0.41
MEN1 O00255 2/20 0.40
KMT2A Q03164 2/20 0.40
TAAR1 Q96RJ0 1/20 0.40
CYP2C9 P11712 1/20 0.40
RAB9A P51151 4/20 0.39
NPC1 O15118 3/20 0.39
POLB P06746 1/20 0.39
MAPT P10636 1/20 0.39
LMNA P02545 2/20 0.36
CES2 O00748 1/20 0.36
CES1 P23141 1/20 0.36
SMN1; SMN2 Q16637 1/20 0.36
NOS2 P35228 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
SCHEMBL28926398 0.83 POLB (0.53) HPGDALDH1A1HTTMEN1KMT2A
SCHEMBL29822849 0.80 CES2 (0.38) HPGDALDH1A1RAB9ANPC1POLB
SCHEMBL16344312 0.77 HPGD (0.47) HPGDALDH1A1MEN1KMT2ACYP2C9
SCHEMBL14650448 0.75 HPGD (0.45) HPGDALDH1A1HTTMAPK1MEN1
SCHEMBL28926370 0.73 GAA (0.42) HPGDALDH1A1RAB9ANPC1POLB
SCHEMBL28965092 0.73 CCR5 (0.43) HPGDRAB9APOLBCES2CES1
SCHEMBL9966338 0.72 POLB (0.45) HPGDRAB9APOLBCES2CES1
SCHEMBL16150815 0.70 FASN (0.73) HPGDALDH1A1HTTPOLB
SCHEMBL25020656 0.69 ALDH1A1 (0.38) HPGDALDH1A1HTTRAB9ANPC1
SCHEMBL9474091 0.69 HPGD (0.35) HPGDALDH1A1HTTRAB9ANPC1

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
CN-115385876-A Method for constructing C-C bond by photocatalytic activation of alpha-position C-H bond of tetrahydrofuran 中国科学院理化技术研究所 2022-11-25 CN disclosed