SCHEMBL19900445

SCHEMBL19900445

Fc1cccc(Cl)c1-c1[c]c(C2CC2)on1

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
POLB P06746 1/20 0.40
ALDH1A1 P00352 2/20 0.39
HSD17B10 Q99714 1/20 0.39
CHRM1 P11229 1/20 0.38
CHRM3 P20309 1/20 0.38
CHRNB2 P17787 4/20 0.37
CHRNA4 P43681 4/20 0.37
MAPT P10636 1/20 0.36
HPGD P15428 1/20 0.36
KMT2A Q03164 1/20 0.36
PIM1 P11309 1/20 0.35
CSNK2A2 P19784 1/20 0.35
CSNK2B P67870 1/20 0.35
PIM3 Q86V86 1/20 0.35
PIM2 Q9P1W9 1/20 0.35
NPC1 O15118 2/20 0.35
RAB9A P51151 2/20 0.35
CASP3 P42574 1/20 0.35
SENP8 Q96LD8 1/20 0.35
SENP7 Q9BQF6 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
SCHEMBL5041655 0.90 NPC1 (0.33) POLBALDH1A1HSD17B10CHRNB2CHRNA4
SCHEMBL1679666 0.77 LMNA (0.44) POLBALDH1A1MAPTHPGDKMT2A
SCHEMBL9766168 0.74 ALDH1A1 (0.40) POLBALDH1A1MAPTHPGDKMT2A
SCHEMBL19900600 0.67 NR1H4 (0.50) ALDH1A1HSD17B10MAPTHPGD
SCHEMBL10530664 0.66 OPRL1 (0.59) ALDH1A1KMT2AOPRL1
SCHEMBL19900884 0.66 NR1H4 (0.51) ALDH1A1HSD17B10
SCHEMBL30437676 0.66 NR1H4 (0.49) ALDH1A1HSD17B10
SCHEMBL19900214 0.66 NR1H4 (0.49) ALDH1A1HSD17B10
SCHEMBL1326560 0.64 ALDH1A1 (0.44) POLBALDH1A1MAPTKMT2AL3MBTL1
SCHEMBL21912470 0.64 NR1H4 (0.54)

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-3504205-A1 HORMONE RECEPTOR MODULATORS FOR TREATING METABOLIC CONDITIONS AND DISORDERS Ardelyx, Inc. (US) 2019-07-03 EP disclosed
WO-2018039386-A1 HORMONE RECEPTOR MODULATORS FOR TREATING METABOLIC CONDITIONS AND DISORDERS ARDELYX, INC. (US) 2018-03-01 WO disclosed