SCHEMBL31470933

SCHEMBL31470933

CC(C)(C)c1ccc(C2CN=C(c3ccccc3)O2)cc1

nearest known ligand 0.41

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 1/20 0.41
HPGD P15428 1/20 0.41
SLC6A2 P23975 1/20 0.39
SLC6A4 P31645 1/20 0.39
SLC6A3 Q01959 1/20 0.39
ATM Q13315 1/20 0.38
SMN1; SMN2 Q16637 1/20 0.38
P2RY1 P47900 1/20 0.37
KIF11 P52732 1/20 0.35
PPARG P37231 1/20 0.35
PPARA Q07869 1/20 0.35
S1PR1 P21453 1/20 0.35
MAOB P27338 3/20 0.35
TP53 P04637 1/20 0.35
POLB P06746 1/20 0.35
TSHR P16473 1/20 0.34
TNKS O95271 1/20 0.34
TNKS2 Q9H2K2 1/20 0.34
KDM1A O60341 1/20 0.34

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
SCHEMBL1548278 0.84 ALDH1A1 (0.54) ALDH1A1HPGDATMSMN1; SMN2P2RY1
SCHEMBL31470938 0.80 MAOB (0.45) ALDH1A1HPGDATMSMN1; SMN2MAOB
SCHEMBL9790579 0.77 ALDH1A1 (0.38) ALDH1A1HPGDKIF11S1PR1TP53
SCHEMBL31470935 0.75 MAOB (0.44) ALDH1A1HPGDATMSMN1; SMN2MAOB
SCHEMBL31470934 0.75 MAOB (0.44) ALDH1A1HPGDATMSMN1; SMN2MAOB
SCHEMBL31158568 0.74 TSHR (0.50) ALDH1A1HPGDSLC6A2SLC6A4SLC6A3
SCHEMBL34460861 0.74 TSHR (0.50) ALDH1A1HPGDSLC6A2SLC6A4SLC6A3
SCHEMBL13458415 0.74 SMN1; SMN2 (0.43) ALDH1A1HPGDATMSMN1; SMN2
SCHEMBL1338840 0.73 ALDH1A1 (0.47) ALDH1A1HPGDATMSMN1; SMN2TSHR
SCHEMBL13885660 0.73 ALDH1A1 (0.51) ALDH1A1HPGDATMSMN1; SMN2MAOB

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-119571341-A Synthetic method of oxazoline compound 柳州职业技术大学 2025-03-07 CN disclosed