SCHEMBL29957566

SCHEMBL29957566

CC(Oc1ccc(C=O)cc1)C(=O)NC1CCCC1

nearest known ligand 0.57

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
HPGD P15428 3/20 0.55
SMN1; SMN2 Q16637 2/20 0.55
NPSR1 Q6W5P4 1/20 0.55
ALDH1A1 P00352 1/20 0.52
NPC1 O15118 1/20 0.51
RAB9A P51151 1/20 0.51
ALDH1A3 P47895 1/20 0.47
TSHR P16473 1/20 0.47
POLB P06746 1/20 0.45
KMT2A Q03164 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
SCHEMBL29951935 0.94 ALDH1A3 (0.50) HPGDSMN1; SMN2NPSR1ALDH1A1NPC1
SCHEMBL29952000 0.86 HPGD (0.55) HPGDSMN1; SMN2NPSR1NPC1RAB9A
SCHEMBL25894347 0.82 SMN1; SMN2 (0.60) HPGDSMN1; SMN2NPSR1ALDH1A1NPC1
SCHEMBL29954591 0.80 TSHR (0.49) HPGDSMN1; SMN2NPSR1ALDH1A1NPC1
SCHEMBL2557252 0.80 ALDH1A3 (0.56) HPGDALDH1A1ALDH1A3
SCHEMBL2558483 0.78 ALDH1A3 (0.58) SMN1; SMN2ALDH1A1ALDH1A3KMT2A
SCHEMBL16083180 0.77 ATF4 (0.52) HPGDSMN1; SMN2NPSR1ALDH1A1NPC1
SCHEMBL29956063 0.76 HPGD (0.70) HPGDSMN1; SMN2ALDH1A1TSHRPOLB
SCHEMBL1811263 0.76 ALDH1A3 (0.63) HPGDSMN1; SMN2NPSR1ALDH1A1ALDH1A3
SCHEMBL10455042 0.76 ALDH1A3 (0.63) HPGDSMN1; SMN2NPSR1ALDH1A1ALDH1A3

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-20220340893-A1 BI-FUNCTIONAL COMPLEXES AND METHODS FOR MAKING AND USING SUCH COMPLEXES NUEVOLUTION A/S (DK) 2022-10-27 US disclosed