SCHEMBL30715518

SCHEMBL30715518

O[C@@H]1c2ccccc2CC[C@@H]1F

nearest known ligand 0.61

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
IDO1 P14902 3/20 0.44
PDPK1 O15530 1/20 0.44
BLM P54132 1/20 0.43
TSHR P16473 1/20 0.43
SLC18A3 Q16572 1/20 0.42
CYP11B2 P19099 1/20 0.42
CYP3A4 P08684 1/20 0.40
TDO2 P48775 1/20 0.40
PIN1 Q13526 1/20 0.40
ACP3 P15309 1/20 0.40

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
SCHEMBL30715525 0.79 MAOB (0.45) IDO1
SCHEMBL6667045 0.79 IDO1 (0.47) IDO1PDPK1CYP11B2
SCHEMBL23490000 0.79 MAOB (0.45) IDO1
SCHEMBL19899051 0.79 SLC18A3 (0.49) IDO1PDPK1BLMTSHRSLC18A3
SCHEMBL7025766 0.79 SLC18A3 (0.49) IDO1PDPK1BLMTSHRSLC18A3
SCHEMBL14472521 0.79 SLC18A3 (0.49) IDO1PDPK1BLMTSHRSLC18A3
SCHEMBL4195494 0.79 SLC18A3 (0.49) IDO1PDPK1BLMTSHRSLC18A3
SCHEMBL8759170 0.79 SLC18A3 (0.49) IDO1PDPK1BLMTSHRSLC18A3
SCHEMBL19645627 0.78 ACP3 (0.54) IDO1PDPK1BLMTSHRSLC18A3
SCHEMBL18378585 0.76 IDO1 (0.44) IDO1PDPK1CYP11B2PIN1ACP3

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-117126126-A Method for asymmetrically synthesizing adjacent halohydrin compound 凯特立斯(深圳)科技有限公司 2023-11-28 CN disclosed