SCHEMBL9841237

SCHEMBL9841237

CCCCCCc1ccc(CCc2ccc(-c3ccc(OC(C)CC)cc3)cc2)cc1

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HSD17B10 Q99714 2/20 0.49
TSHR P16473 1/20 0.49
RARB P10826 5/20 0.48
ALDH1A1 P00352 3/20 0.48
MEN1 O00255 2/20 0.48
KMT2A Q03164 2/20 0.48
MAPT P10636 2/20 0.48
RARA P10276 1/20 0.48
MTOR P42345 1/20 0.48
PPARA Q07869 1/20 0.46
HRH3 Q9Y5N1 1/20 0.46
ESR1 P03372 2/20 0.45
ADRA2A P08913 2/20 0.45
ADORA3 P0DMS8 2/20 0.45
TACR2 P21452 2/20 0.45
SLC6A2 P23975 2/20 0.45
SLC6A4 P31645 2/20 0.45
SLC6A3 Q01959 2/20 0.45
LMNA P02545 2/20 0.45
CYP3A4 P08684 2/20 0.45

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
SCHEMBL10481201 0.98 HSD17B10 (0.50) HSD17B10TSHRRARBALDH1A1MEN1
SCHEMBL10481189 0.98 HSD17B10 (0.50) HSD17B10TSHRRARBALDH1A1MEN1
SCHEMBL10481198 0.88 HSD17B10 (0.49) HSD17B10TSHRRARBALDH1A1MEN1
SCHEMBL9225225 0.88 HSD17B10 (0.49) HSD17B10TSHRRARBALDH1A1MEN1
SCHEMBL10481182 0.88 HSD17B10 (0.49) HSD17B10TSHRRARBALDH1A1MEN1
SCHEMBL9319765 0.87 RARB (0.50) HSD17B10TSHRRARBALDH1A1MEN1
SCHEMBL9333705 0.85 HSD17B10 (0.43) HSD17B10TSHRRARBALDH1A1MEN1
SCHEMBL9330947 0.85 HSD17B10 (0.43) HSD17B10TSHRRARBALDH1A1MEN1
SCHEMBL9330468 0.85 HSD17B10 (0.43) HSD17B10TSHRRARBALDH1A1MEN1
SCHEMBL9330480 0.85 HSD17B10 (0.43) HSD17B10TSHRRARBALDH1A1MEN1

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
JP-3093735-A None JP disclosed
JP-H0393735-A OPTICALLY ACTIVE COMPOUND HAVING ETHANE SKELETON CHISSO CORP 1991-04-18 JP disclosed