SCHEMBL26437840

SCHEMBL26437840

CCCCCc1ccc(OCC2CO2)c2ccccc12

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 4/20 0.49
GLA P06280 1/20 0.49
SLC6A4 P31645 2/20 0.43
TDP1 Q9NUW8 2/20 0.42
SLC2A1 P11166 2/20 0.39
TP53 P04637 3/20 0.38
TSHR P16473 3/20 0.38
SMN1; SMN2 Q16637 2/20 0.38
HIF1A Q16665 2/20 0.38
CYP3A4 P08684 1/20 0.38
MEN1 O00255 3/20 0.37
KMT2A Q03164 3/20 0.37
CNR2 P34972 3/20 0.36
CNR1 P21554 2/20 0.36
CYP2C9 P11712 1/20 0.36
ADRB2 P07550 1/20 0.35
HTR1A P08908 1/20 0.35
SLC6A2 P23975 1/20 0.35
HTR2A P28223 1/20 0.35
ADRA1A P35348 1/20 0.35

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
SCHEMBL24452831 0.85 ALDH1A1 (0.55) ALDH1A1GLASLC6A4TDP1SLC2A1
SCHEMBL30471511 0.83 ALDH1A1 (0.58) ALDH1A1GLASLC6A4TDP1TP53
SCHEMBL284521 0.83 ALDH1A1 (0.58) ALDH1A1GLASLC6A4TDP1TP53
SCHEMBL283478 0.82 ALDH1A1 (0.56) ALDH1A1GLASLC6A4TDP1TP53
SCHEMBL4615425 0.82 ALDH1A1 (0.56) ALDH1A1GLASLC6A4TDP1TP53
SCHEMBL29569235 0.82 ALDH1A1 (0.56) ALDH1A1GLASLC6A4TDP1TP53
SCHEMBL457984 0.82 ALDH1A1 (0.56) ALDH1A1GLASLC6A4TDP1TP53
SCHEMBL284332 0.82 ALDH1A1 (0.56) ALDH1A1GLASLC6A4TDP1TP53
SCHEMBL125928 0.82 ALDH1A1 (0.56) ALDH1A1GLASLC6A4TDP1TP53
SCHEMBL283615 0.82 ALDH1A1 (0.56) ALDH1A1GLASLC6A4TDP1TP53

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
US-20230125656-A1 INK COMPOSITION, LIGHT CONVERSION LAYER AND LIGHT EMITTING DEVICE ECHEM SOLUTIONS CORP. (TW) 2023-04-27 US disclosed
US-20230125656-A1 INK COMPOSITION, LIGHT CONVERSION LAYER AND LIGHT EMITTING DEVICE ECHEM SOLUTIONS CORP. (TW) 2023-04-27 US disclosed