SCHEMBL28840825

SCHEMBL28840825

COC(=O)C1(Cc2ccc(Br)cc2)CCCCC1

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP4F2 P78329 1/20 0.42
CYP4A11 Q02928 1/20 0.42
OPRM1 P35372 1/20 0.42
OPRD1 P41143 1/20 0.42
FPR2 P25090 2/20 0.41
PROKR1 Q8TCW9 2/20 0.41
CTSL P07711 1/20 0.40
CTSB P07858 1/20 0.40
CTSS P25774 1/20 0.40
MAPK1 P28482 1/20 0.40
MME P08473 2/20 0.39
KDM4E B2RXH2 1/20 0.39
GLA P06280 1/20 0.39
L3MBTL1 Q9Y468 1/20 0.39
SMN1; SMN2 Q16637 2/20 0.39
NPC1 O15118 1/20 0.39
HPGD P15428 1/20 0.39
ALDH1A1 P00352 2/20 0.38
KMT2A Q03164 1/20 0.38
P2RX7 Q99572 1/20 0.38

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
SCHEMBL8586015 0.85 ALDH1A1 (0.52) L3MBTL1SMN1; SMN2NPC1ALDH1A1KMT2A
SCHEMBL12353911 0.84 CYP4F2 (0.44) CYP4F2CYP4A11KDM4ESMN1; SMN2NPC1
SCHEMBL5750629 0.84 POLB (0.46) CYP4F2CYP4A11OPRM1KDM4EALDH1A1
SCHEMBL4907162 0.84 TACR1 (0.47) CYP4F2CYP4A11KDM4ESMN1; SMN2NPC1
SCHEMBL28840734 0.84 FPR2 (0.55) FPR2PROKR1KDM4ESMN1; SMN2NPC1
SCHEMBL30683842 0.83 TACR1 (0.48) CYP4F2CYP4A11KDM4ESMN1; SMN2NPC1
SCHEMBL21383661 0.82 FPR2 (0.44) FPR2PROKR1L3MBTL1SMN1; SMN2ALDH1A1
SCHEMBL13089087 0.82 LOXL2 (0.50) CYP4F2CYP4A11NPC1KMT2AHTT
SCHEMBL14074874 0.82 CYP19A1 (0.50) CYP4F2CYP4A11KDM4EALDH1A1P2RX7
SCHEMBL5914605 0.81 FPR2 (0.44) OPRM1OPRD1FPR2PROKR1CTSL

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-114907389-A Boronic acid derivatives 首药控股(北京)股份有限公司 2022-08-16 CN disclosed