SCHEMBL29429985

SCHEMBL29429985

CCC(C)c1ccccc1CCc1ccccc1

nearest known ligand 0.50

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
TSHR P16473 2/20 0.50
ATM Q13315 1/20 0.41
HTR1A P08908 1/20 0.41
DRD2 P14416 1/20 0.41
KMT2A Q03164 1/20 0.40
ALDH1A1 P00352 1/20 0.39
CYP1A2 P05177 1/20 0.39
CYP2C9 P11712 1/20 0.39
CYP2C19 P33261 1/20 0.39
ABCB1 P08183 1/20 0.39
HTT P42858 1/20 0.39
TRPA1 O75762 1/20 0.38
POLB P06746 1/20 0.38
SIGMAR1 Q99720 1/20 0.37
SMN1; SMN2 Q16637 1/20 0.37

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
SCHEMBL5665152 1.00 TSHR (0.50) TSHRATMHTR1ADRD2KMT2A
SCHEMBL9838740 0.90 TSHR (0.59) TSHRATMHTT
SCHEMBL5664115 0.83 TSHR (0.52) TSHRATMTRPA1POLBSIGMAR1
SCHEMBL1343616 0.82 HTR1A (0.44) TSHRHTR1ADRD2KMT2AABCB1
SCHEMBL29511190 0.82 HTR1A (0.44) TSHRHTR1ADRD2KMT2AABCB1
SCHEMBL19254463 0.82 TSHR (0.55) TSHRATMHTR1A
SCHEMBL20739985 0.79 TSHR (0.52) TSHRATMHTT
SCHEMBL3844173 0.79 TSHR (0.52) TSHRCYP1A2SMN1; SMN2
SCHEMBL10979504 0.79 TSHR (0.52) TSHRATMCYP2C9
SCHEMBL10903634 0.79 HTT (0.43) TSHRHTR1ADRD2KMT2AALDH1A1

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
WO-2022045186-A1 HEAT-SENSITIVE RECORDING BODY AND IMAGE FORMATION METHOD キヤノン株式会社 2022-03-03 WO disclosed