SCHEMBL28813445

SCHEMBL28813445

Cc1ccc(N)c(C(C)(O)c2ccccc2C)c1

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 3/20 0.51
CASR P41180 4/20 0.40
TDP1 Q9NUW8 5/20 0.39
CYP3A4 P08684 3/20 0.39
ALOX15 P16050 2/20 0.39
TP53 P04637 2/20 0.39
THRB P10828 1/20 0.39
PGR P06401 1/20 0.39
ALDH1A1 P00352 3/20 0.38
HSD17B10 Q99714 1/20 0.36
GABRA1 P14867 1/20 0.34
GABRB2 P47870 1/20 0.34
TSHR P16473 3/20 0.33
MAPT P10636 2/20 0.33
MAPK1 P28482 2/20 0.33
MEN1 O00255 1/20 0.33
LMNA P02545 1/20 0.33
KMT2A Q03164 1/20 0.33
GPR55 Q9Y2T6 1/20 0.33
NPC1 O15118 1/20 0.33

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
SCHEMBL874172 0.80 CASR (0.53) CASRTDP1CYP3A4ALDH1A1GABRA1
SCHEMBL3291266 0.76 SMN1; SMN2 (0.63) SMN1; SMN2TDP1CYP3A4ALOX15TP53
SCHEMBL33608 0.76 SMN1; SMN2 (0.63) SMN1; SMN2TDP1CYP3A4ALOX15TP53
SCHEMBL5535338 0.74 SMN1; SMN2 (0.49) SMN1; SMN2TDP1CYP3A4ALOX15TP53
SCHEMBL18546040 0.72 CASR (0.53) SMN1; SMN2CASRTDP1TP53ALDH1A1
SCHEMBL28669112 0.72 SMN1; SMN2 (0.57) SMN1; SMN2TDP1CYP3A4ALOX15TP53
SCHEMBL10216057 0.72 SMN1; SMN2 (0.57) SMN1; SMN2TDP1CYP3A4ALOX15TP53
SCHEMBL20528330 0.70 SMN1; SMN2 (0.56) SMN1; SMN2TDP1CYP3A4ALOX15TP53
SCHEMBL22044362 0.70 SMN1; SMN2 (0.51) SMN1; SMN2TDP1CYP3A4ALOX15TP53
SCHEMBL11020376 0.70 SMN1; SMN2 (0.47) SMN1; SMN2TDP1CYP3A4ALOX15TP53

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-114746069-A Three-step multi-tone hair dyeing method 汉高股份有限及两合公司 2022-07-12 CN claimed