SCHEMBL8622366

SCHEMBL8622366

CCON=C(C(=O)Cl)c1ccccc1COc1cc(C)ccc1C

nearest known ligand 0.48

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
PTGDR2 Q9Y5Y4 1/20 0.44
MRGPRX4 Q96LA9 3/20 0.42
MEN1 O00255 1/20 0.41
ALDH1A1 P00352 1/20 0.41
KMT2A Q03164 1/20 0.41
SMN1; SMN2 Q16637 2/20 0.41
NPC1 O15118 1/20 0.41
MAPT P10636 1/20 0.41
RAB9A P51151 1/20 0.41
HTT P42858 2/20 0.40
TP53 P04637 1/20 0.40
TSHR P16473 1/20 0.39
HIF1A Q16665 3/20 0.38
POLB P06746 1/20 0.38
LMNA P02545 1/20 0.38
CYP2C9 P11712 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
SCHEMBL8622364 1.00 PTGDR2 (0.44) PTGDR2MRGPRX4MEN1ALDH1A1KMT2A
SCHEMBL8619691 0.90 PTGDR2 (0.45) PTGDR2MRGPRX4MEN1ALDH1A1KMT2A
SCHEMBL8619689 0.90 PTGDR2 (0.45) PTGDR2MRGPRX4MEN1ALDH1A1KMT2A
SCHEMBL8519540 0.89 ALDH1A1 (0.42) PTGDR2MRGPRX4MEN1ALDH1A1KMT2A
SCHEMBL7067009 0.89 ALDH1A1 (0.42) PTGDR2MRGPRX4MEN1ALDH1A1KMT2A
SCHEMBL5360660 0.89 ALDH1A1 (0.46) PTGDR2MRGPRX4MEN1ALDH1A1KMT2A
SCHEMBL54335 0.89 ALDH1A1 (0.46) PTGDR2MRGPRX4MEN1ALDH1A1KMT2A
SCHEMBL8372755 0.89 HIF1A (0.48) PTGDR2MRGPRX4MEN1ALDH1A1KMT2A
SCHEMBL8624128 0.89 HIF1A (0.48) PTGDR2MRGPRX4MEN1ALDH1A1KMT2A
SCHEMBL8372754 0.89 HIF1A (0.48) PTGDR2MRGPRX4MEN1ALDH1A1KMT2A

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