SCHEMBL8618332

SCHEMBL8618332

CCON=C(C(=O)O)c1ccccc1COc1ccccc1

nearest known ligand 0.50

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
HIF1A Q16665 7/20 0.50
PTPRC P08575 1/20 0.44
PTPN1 P18031 1/20 0.44
CAPN1 P07384 1/20 0.42
NR4A2 P43354 1/20 0.42
TP53 P04637 1/20 0.42
HTT P42858 1/20 0.42
KDM4E B2RXH2 1/20 0.42
SMN1; SMN2 Q16637 1/20 0.42
MAOA P21397 1/20 0.41
MAOB P27338 1/20 0.41
TSHR P16473 1/20 0.40
MAPK10 P53779 1/20 0.40
FFAR1 O14842 2/20 0.39
FFAR4 Q5NUL3 1/20 0.39

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
SCHEMBL8618330 1.00 HIF1A (0.50) HIF1APTPRCPTPN1CAPN1NR4A2
SCHEMBL8618307 0.90 HIF1A (0.48) HIF1APTPRCPTPN1CAPN1NR4A2
SCHEMBL8618303 0.90 HIF1A (0.48) HIF1APTPRCPTPN1CAPN1NR4A2
SCHEMBL8400528 0.87 HIF1A (0.49) HIF1APTPRCPTPN1CAPN1NR4A2
SCHEMBL8400532 0.87 HIF1A (0.49) HIF1APTPRCPTPN1CAPN1NR4A2
SCHEMBL3758380 0.86 NR1H4 (0.45) HIF1APTPRCPTPN1NR4A2KDM4E
SCHEMBL3755609 0.86 NR1H4 (0.45) HIF1APTPRCPTPN1NR4A2TP53
SCHEMBL3752980 0.86 NR1H4 (0.45) HIF1APTPRCPTPN1NR4A2KDM4E
SCHEMBL8624035 0.86 HIF1A (0.48) HIF1ACAPN1NR4A2TP53HTT
SCHEMBL8624032 0.86 HIF1A (0.48) HIF1ACAPN1NR4A2TP53HTT

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