SCHEMBL8623949

SCHEMBL8623949

CCCCC(=NOC)C(=O)Oc1ccccc1COc1cc(C)ccc1C

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PTGDR2 Q9Y5Y4 1/20 0.41
TSHR P16473 3/20 0.41
MEN1 O00255 2/20 0.39
KMT2A Q03164 2/20 0.39
ALDH1A1 P00352 2/20 0.39
SMN1; SMN2 Q16637 3/20 0.38
NPC1 O15118 1/20 0.38
MAPT P10636 1/20 0.38
RAB9A P51151 1/20 0.38
TDP1 Q9NUW8 3/20 0.38
GAA P10253 1/20 0.38
POLB P06746 1/20 0.38
KDM4E B2RXH2 2/20 0.36
L3MBTL1 Q9Y468 2/20 0.36
PTGER1 P34995 1/20 0.36
PTGER4 P35408 1/20 0.36
PTGER3 P43115 1/20 0.36
PTGER2 P43116 1/20 0.36
CYP2C9 P11712 2/20 0.35
TTR P02766 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
SCHEMBL8623899 0.91 TDP1 (0.39) PTGDR2TSHRMEN1KMT2AALDH1A1
SCHEMBL8621962 0.90 PTGDR2 (0.44) PTGDR2TSHRMEN1KMT2AALDH1A1
SCHEMBL8618263 0.84 ANO1 (0.46) PTGDR2MEN1KMT2AALDH1A1MAPT
SCHEMBL8620586 0.83 FFAR1 (0.42) MEN1KMT2ASMN1; SMN2POLBKDM4E
SCHEMBL8617286 0.83 PTGDR2 (0.46) PTGDR2TSHRMEN1KMT2AALDH1A1
SCHEMBL8622048 0.80 TDP1 (0.41) PTGDR2TSHRKMT2AALDH1A1MAPT
SCHEMBL8620524 0.77 HIF1A (0.48) ALDH1A1L3MBTL1PPARGPPARAHTT
SCHEMBL27294425 0.75 SMN1; SMN2 (0.45) PTGDR2TSHRMEN1KMT2AALDH1A1
SCHEMBL8620478 0.75 MRGPRX4 (0.43) PTGDR2TSHRSMN1; SMN2NPC1MAPT
SCHEMBL8623430 0.73 ANO1 (0.48) PTGDR2MAPTCYP2C9CYP1A2

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
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