SCHEMBL28564265

SCHEMBL28564265

COCCNc1cc(C)cc(C)c1

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
THRB P10828 1/20 0.52
MAPT P10636 5/20 0.43
POLB P06746 2/20 0.43
SMN1; SMN2 Q16637 1/20 0.43
HTT P42858 2/20 0.42
CYP1A2 P05177 1/20 0.42
CYP3A4 P08684 1/20 0.42
CYP2D6 P10635 1/20 0.42
CYP2C9 P11712 1/20 0.42
CYP2C19 P33261 1/20 0.42
LMNA P02545 1/20 0.41
KCNH3 Q9ULD8 3/20 0.40
NCF1 P14598 1/20 0.39
PKM P14618 1/20 0.38
CRHR1 P34998 1/20 0.38
ALDH1A1 P00352 2/20 0.37
RAB9A P51151 1/20 0.36
MEN1 O00255 1/20 0.36
KMT2A Q03164 1/20 0.36
TRPA1 O75762 1/20 0.36

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
SCHEMBL10104283 0.84 RXFP1 (0.45) THRBMAPTSMN1; SMN2CYP1A2CYP3A4
SCHEMBL4740356 0.81 THRB (0.64) THRBMAPTPOLBSMN1; SMN2HTT
SCHEMBL6995577 0.80 MAPT (0.71) MAPTSMN1; SMN2HTTCYP1A2CYP3A4
SCHEMBL12017843 0.79 ATM (0.40) MAPTPOLBHTTCYP1A2CYP3A4
SCHEMBL8264100 0.78 MAPT (0.67) THRBMAPTPOLBSMN1; SMN2HTT
SCHEMBL9360724 0.78 ALDH1A1 (0.46) MAPTHTTCYP1A2CYP2C19LMNA
SCHEMBL849709 0.78 LMNA (0.38) THRBMAPTSMN1; SMN2HTTCYP1A2
SCHEMBL30288272 0.77 ALDH1A1 (0.44) MAPTSMN1; SMN2HTTCYP1A2CYP2C9
SCHEMBL28572444 0.77 GAA (0.47) MAPTPOLBSMN1; SMN2HTTCYP1A2
SCHEMBL4860767 0.75 TSHR (0.42) THRBMAPTPOLBSMN1; SMN2HTT

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-112703180-B Amphiphilic mesogenic organic dyes for customized reflective low dimensional materials 索邦大学 2024-01-23 CN disclosed
CN-112703180-A Amphiphilic mesogenic organic dyes for customized reflective low-dimensional materials 索邦大学 2021-04-23 CN disclosed