SCHEMBL28334229

SCHEMBL28334229

C=CCCCCCCCCCCCCCC.C=Cc1ccc[nH]1

nearest known ligand 0.52

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
TSHR P16473 2/20 0.52
ALDH1A1 P00352 2/20 0.41
GAA P10253 1/20 0.40
USP2 O75604 1/20 0.35
HPGD P15428 1/20 0.35
TDP1 Q9NUW8 1/20 0.35
HDAC1 Q13547 2/20 0.33
THRA P10827 3/20 0.33
THRB P10828 3/20 0.33
MEN1 O00255 2/20 0.33
KMT2A Q03164 2/20 0.33
CYP3A4 P08684 1/20 0.33
HDAC4 P56524 1/20 0.32
GPR84 Q9NQS5 2/20 0.32

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
SCHEMBL499774 0.78 GAA (0.45) TSHRALDH1A1GAAMEN1KMT2A
SCHEMBL23345540 0.77 GAA (0.42) TSHRALDH1A1GAA
SCHEMBL16135393 0.77 RAB9A (0.39) TSHRALDH1A1GAAUSP2HPGD
Benzene SCHEMBL28086027 0.74 TSHR (0.84) TSHRALDH1A1THRB
Benzene SCHEMBL8076348 0.74 TSHR (0.84) TSHRALDH1A1THRB
Benzene SCHEMBL7948574 0.74 TSHR (0.84) TSHRALDH1A1THRB
Benzene SCHEMBL8076354 0.74 TSHR (0.84) TSHRALDH1A1THRB
Benzene SCHEMBL459942 0.74 TSHR (0.84) TSHRALDH1A1THRB
Styrene SCHEMBL22799283 0.73 TSHR (0.59) TSHRALDH1A1USP2HPGDTDP1
Benzene SCHEMBL17644459 0.72 TSHR (0.80) TSHRALDH1A1THRB

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-110402136-A OILY COSMETIC KOSE CORP 2019-11-01 CN claimed