SCHEMBL26528992

SCHEMBL26528992

Nc1ccc(CC2CCC2)cc1

nearest known ligand 0.50

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 3/20 0.50
CYP3A4 P08684 1/20 0.50
TSHR P16473 1/20 0.50
TDP1 Q9NUW8 1/20 0.50
MEN1 O00255 1/20 0.46
KMT2A Q03164 1/20 0.46
HTR6 P50406 1/20 0.44
GFER P55789 1/20 0.44
NFE2L2 Q16236 1/20 0.43
LOXL2 Q9Y4K0 1/20 0.42
GBA1 P04062 1/20 0.41

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
SCHEMBL7438487 0.95 NFE2L2 (0.47) ALDH1A1CYP3A4TSHRTDP1MEN1
SCHEMBL3155441 0.93 NFE2L2 (0.50) ALDH1A1CYP3A4TSHRTDP1MEN1
SCHEMBL7446113 0.91 MEN1 (0.49) ALDH1A1CYP3A4TSHRTDP1MEN1
SCHEMBL40077 0.83 MEN1 (0.44) ALDH1A1CYP3A4TSHRTDP1MEN1
SCHEMBL14407436 0.82 CYP3A4 (0.52) ALDH1A1CYP3A4TSHRTDP1MEN1
SCHEMBL23314833 0.81 GBA1 (0.50) MEN1KMT2ANFE2L2GBA1
SCHEMBL2627277 0.81 MEN1 (0.43) ALDH1A1CYP3A4TSHRTDP1MEN1
Ammonia Solution, Strong SCHEMBL14343979 0.81 MEN1 (0.43) ALDH1A1CYP3A4TSHRTDP1MEN1
SCHEMBL1264017 0.81 GBA1 (0.66) ALDH1A1CYP3A4TSHRTDP1MEN1
SCHEMBL21471559 0.80 LMNA (0.47) ALDH1A1MEN1KMT2A

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
US-20230322996-A1 POLYMER-INTERACTION MOLECULE CONJUGATES AND METHODS OF USE LIFE TECHNOLOGIES AS (NO) 2023-10-12 US disclosed