SCHEMBL11544945

SCHEMBL11544945

COC(=O)CSc1cccccc1=O

nearest known ligand 0.64

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HSD17B10 Q99714 4/20 0.64
POLB P06746 1/20 0.64
ALDH1A1 P00352 4/20 0.53
HPGD P15428 3/20 0.53
MAPK1 P28482 3/20 0.53
RXFP1 Q9HBX9 3/20 0.53
ALOX15 P16050 1/20 0.53
KMT2A Q03164 1/20 0.53
FFAR1 O14842 1/20 0.48
MAPT P10636 2/20 0.47
KDM4E B2RXH2 2/20 0.47
GAA P10253 2/20 0.47
CYP1A2 P05177 2/20 0.47
GLA P06280 1/20 0.47
CYP3A4 P08684 1/20 0.47
CYP2C9 P11712 1/20 0.47
CYP2C19 P33261 1/20 0.47
TP53 P04637 1/20 0.46
PRNP P04156 3/20 0.46
L3MBTL1 Q9Y468 1/20 0.46

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
SCHEMBL8144828 0.81 HSD17B10 (0.66) HSD17B10POLBALDH1A1HPGDMAPK1
SCHEMBL8153543 0.79 HSD17B10 (0.63) HSD17B10POLBALDH1A1HPGDMAPK1
SCHEMBL6764561 0.78 FFAR1 (0.61) HSD17B10POLBALDH1A1HPGDMAPK1
SCHEMBL9661237 0.78 HSD17B10 (1.00) HSD17B10POLBALDH1A1HPGDMAPK1
SCHEMBL10508334 0.76 HSD17B10 (0.59) HSD17B10POLBALDH1A1HPGDMAPK1
SCHEMBL10504984 0.76 HSD17B10 (0.59) HSD17B10POLBALDH1A1HPGDMAPK1
SCHEMBL7963942 0.74 HSD17B10 (0.61) HSD17B10POLBALDH1A1HPGDMAPK1
SCHEMBL10807552 0.71 HSD17B10 (0.50) HSD17B10POLBALDH1A1HPGDMAPK1
SCHEMBL9642888 0.71 HSD17B10 (0.50) HSD17B10POLBALDH1A1HPGDMAPK1
SCHEMBL7977530 0.71 HSD17B10 (0.54) HSD17B10POLBALDH1A1HPGDMAPK1

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 4 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-4152456-A ANTIALLERGY, ANTIANAPHYLACTIC AYERST, MCKENNA AND HARRISON LIMITED (CA) 1979-05-01 US disclosed
US-4152457-A ANTIALLERGY, ANTIANAPHYLACTIC AYERST, MCKENNA AND HARRISON LIMITED (CA) 1979-05-01 US disclosed
US-4110468-A ANTIALLERGENS AYERST, MCKENNA & HARRISON LIMITED (CA) 1978-08-29 US disclosed
US-4066784-A ANTIALLERGINS AYERST, MCKENNA AND HARRISON LTD. (CA) 1978-01-03 US disclosed