SCHEMBL8618317

SCHEMBL8618317

CON=C(C)C(=O)Oc1ccccc1COc1c(C)cccc1C

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PTPN1 P18031 2/20 0.43
CDK4 P11802 1/20 0.40
CCND1 P24385 1/20 0.40
HTR1A P08908 1/20 0.39
ADRA1D P25100 1/20 0.39
ADRA1A P35348 1/20 0.39
ADRA1B P35368 1/20 0.39
MAOB P27338 1/20 0.39
HIF1A Q16665 3/20 0.38
PTGER1 P34995 1/20 0.38
PTGER4 P35408 1/20 0.38
PTGER3 P43115 1/20 0.38
PTGER2 P43116 1/20 0.38
MAPT P10636 2/20 0.38
MEN1 O00255 1/20 0.38
ALDH1A1 P00352 1/20 0.38
POLB P06746 1/20 0.38
KMT2A Q03164 1/20 0.38
SMN1; SMN2 Q16637 1/20 0.38
PTGDR2 Q9Y5Y4 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
SCHEMBL8617222 0.90 CDK4 (0.44) CDK4CCND1MAOBMAPTALDH1A1
SCHEMBL8622477 0.89 L3MBTL1 (0.46) PTPN1CDK4CCND1HTR1AADRA1D
SCHEMBL8623908 0.84 HIF1A (0.46) PTPN1MAOBHIF1AMEN1KMT2A
SCHEMBL8620420 0.84 HIF1A (0.44) HTR1AADRA1DADRA1AADRA1BHIF1A
SCHEMBL8622457 0.84 L3MBTL1 (0.40) CDK4CCND1HIF1AMAPTMEN1
SCHEMBL8621428 0.83 MAPT (0.45) MAOBHIF1AMAPTMEN1ALDH1A1
SCHEMBL8621226 0.82 L3MBTL1 (0.46) MAOBHIF1AMAPTALDH1A1POLB
SCHEMBL8621319 0.82 HIF1A (0.48) MAOBHIF1AMAPTALDH1A1KMT2A
SCHEMBL8620478 0.82 MRGPRX4 (0.43) CDK4CCND1HIF1AMAPTSMN1; SMN2
SCHEMBL8617286 0.82 PTGDR2 (0.46) CDK4CCND1MAPTMEN1ALDH1A1

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