SCHEMBL8617286

SCHEMBL8617286

CON=C(C)C(=O)Oc1ccccc1COc1cc(C)ccc1C

nearest known ligand 0.50

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
PTGDR2 Q9Y5Y4 1/20 0.46
SMN1; SMN2 Q16637 3/20 0.43
NPC1 O15118 3/20 0.42
RAB9A P51151 3/20 0.42
MAPT P10636 1/20 0.42
GAA P10253 1/20 0.42
TDP1 Q9NUW8 1/20 0.42
TSHR P16473 1/20 0.40
POLB P06746 1/20 0.39
HTT P42858 2/20 0.39
LMNA P02545 1/20 0.39
CYP2C9 P11712 1/20 0.39
ALDH1A1 P00352 2/20 0.38
MEN1 O00255 1/20 0.38
KMT2A Q03164 1/20 0.38
CDK4 P11802 1/20 0.38
CCND1 P24385 1/20 0.38

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
SCHEMBL8620478 0.91 MRGPRX4 (0.43) PTGDR2SMN1; SMN2NPC1RAB9AMAPT
SCHEMBL8617222 0.89 CDK4 (0.44) PTGDR2MAPTTDP1ALDH1A1KMT2A
SCHEMBL8617384 0.89 MRGPRX4 (0.45) PTGDR2SMN1; SMN2NPC1RAB9AMAPT
SCHEMBL8619242 0.89 HDAC8 (0.41) PTGDR2SMN1; SMN2NPC1RAB9AMAPT
SCHEMBL8621962 0.87 PTGDR2 (0.44) PTGDR2SMN1; SMN2NPC1RAB9AMAPT
SCHEMBL8621428 0.85 MAPT (0.45) NPC1MAPTHTTLMNAALDH1A1
SCHEMBL8621226 0.84 L3MBTL1 (0.46) PTGDR2SMN1; SMN2NPC1RAB9AMAPT
SCHEMBL8621319 0.84 HIF1A (0.48) SMN1; SMN2MAPTGAAHTTLMNA
SCHEMBL8622477 0.84 L3MBTL1 (0.46) PTGDR2SMN1; SMN2NPC1RAB9AMAPT
SCHEMBL8620428 0.84 HIF1A (0.42) SMN1; SMN2MAPTHTTALDH1A1MEN1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0658541-B1 PROCESS FOR PRODUCING CARBOXYLIC ACID DERIVATIVE SHIONOGI & CO (JP) 1998-05-20 EP disclosed
US-5510506-A Process for producing carboxylic acid derivatives SHIONOGI & CO., LTD. (JP) 1996-04-23 US disclosed
EP-0658541-A1 PROCESS FOR PRODUCING CARBOXYLIC ACID DERIVATIVE SHIONOGI & CO., LTD. (JP) 1995-06-21 EP disclosed