SCHEMBL25874171

SCHEMBL25874171

CC(CCc1ccccc1)CC(C)C(N)=O

nearest known ligand 0.53

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
TSHR P16473 1/20 0.53
ERAP1 Q9NZ08 4/20 0.49
ERAP2 Q6P179 3/20 0.49
IL1RN P18510 2/20 0.49
KMT2A Q03164 2/20 0.47
SMN1; SMN2 Q16637 3/20 0.46
HPGD P15428 2/20 0.46
MEN1 O00255 1/20 0.46
HTT P42858 1/20 0.46
ANPEP P15144 2/20 0.44
ALDH1A1 P00352 1/20 0.43
NPC1 O15118 1/20 0.43
RAB9A P51151 1/20 0.43

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
SCHEMBL27620542 0.86 TSHR (0.56) TSHRKMT2ASMN1; SMN2HPGDMEN1
SCHEMBL17403338 0.86 TSHR (0.64) TSHRERAP1ERAP2IL1RNKMT2A
SCHEMBL8761 0.86 TSHR (0.64) TSHRERAP1ERAP2IL1RNKMT2A
SCHEMBL28329152 0.80 SMN1; SMN2 (0.55) TSHRKMT2ASMN1; SMN2HPGDMEN1
SCHEMBL7598869 0.79 TSHR (0.51) TSHRKMT2ASMN1; SMN2HPGDALDH1A1
SCHEMBL661213 0.79 TSHR (0.51) TSHRERAP1ERAP2KMT2ASMN1; SMN2
Hydrochloric Acid SCHEMBL9696957 0.79 GRIK1 (0.59) TSHRERAP1ERAP2KMT2ASMN1; SMN2
Hydrochloric Acid SCHEMBL9697981 0.79 GRIK1 (0.59) TSHRERAP1ERAP2KMT2ASMN1; SMN2
SCHEMBL3928178 0.78 LTB4R (0.52) TSHRKMT2ASMN1; SMN2HPGDALDH1A1
SCHEMBL3995351 0.78 GRIK1 (0.50) TSHRERAP1ERAP2KMT2ASMN1; SMN2

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-20230235177-A1 Deep Ultraviolet-Excitable Water-Solvated Polymeric Dyes BECTON, DICKINSON AND COMPANY 2023-07-27 US disclosed