SCHEMBL28650504

SCHEMBL28650504

C=C(OCC)C(=O)Oc1ccccc1Oc1ccccc1

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TSHR P16473 4/20 0.48
ALDH1A1 P00352 3/20 0.48
NPC1 O15118 2/20 0.46
RAB9A P51151 2/20 0.46
HPGD P15428 1/20 0.46
CRHBP P24387 1/20 0.46
CRHR2 Q13324 1/20 0.46
MAPT P10636 3/20 0.45
L3MBTL1 Q9Y468 2/20 0.42
POLB P06746 1/20 0.42
ATM Q13315 1/20 0.42
NPSR1 Q6W5P4 1/20 0.42
CTNNB1 P35222 1/20 0.41
SMN1; SMN2 Q16637 2/20 0.41
TSPO P30536 1/20 0.41
LMNA P02545 1/20 0.41
MEN1 O00255 1/20 0.41
KMT2A Q03164 1/20 0.41
CYP2D6 P10635 1/20 0.40
SLC6A2 P23975 1/20 0.40

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
SCHEMBL28650502 0.86 NPC1 (0.54) ALDH1A1NPC1RAB9AHPGDCRHBP
SCHEMBL2346405 0.85 MAPT (0.51) TSHRALDH1A1NPC1RAB9AHPGD
SCHEMBL22589051 0.81 TSHR (0.56) TSHRALDH1A1NPC1RAB9AHPGD
SCHEMBL31533531 0.79 ELANE (0.54) TSHRALDH1A1RAB9AHPGDMAPT
SCHEMBL29178149 0.79 L3MBTL1 (0.46) ALDH1A1MAPTL3MBTL1SMN1; SMN2LMNA
SCHEMBL29011035 0.77 MEN1 (0.47) ALDH1A1NPC1RAB9AHPGDMAPT
SCHEMBL9637937 0.77 ELANE (0.55) TSHRALDH1A1NPC1RAB9AHPGD
SCHEMBL1345670 0.76 ELANE (0.51) TSHRALDH1A1MAPTL3MBTL1POLB
Butane SCHEMBL6289475 0.76 CTNNB1 (0.51) TSHRALDH1A1RAB9AMAPTL3MBTL1
SCHEMBL134190 0.76 MAPT (0.56) TSHRALDH1A1NPC1RAB9AHPGD

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-113600808-A Metal paste for photocuring 3D printing and preparation method thereof 上海应用技术大学 2021-11-05 CN disclosed