SCHEMBL21028835

SCHEMBL21028835

CCCCc1cc(Br)c2ccc3c(CCCC)cc(-c4ccc(CCCCCCCCCCCc5ccc(-c6cc(CCCC)c7ccc8c(Br)cc(CCCC)c9ccc6c7c89)cc5)cc4)c4ccc1c2c34

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RARB P10826 8/20 0.38
HSD17B10 Q99714 3/20 0.37
TSHR P16473 1/20 0.37
LPL P06858 3/20 0.36
LIPG Q9Y5X9 3/20 0.36
TRPV1 Q8NER1 1/20 0.36
MGLL Q99685 1/20 0.36
ALDH1A1 P00352 3/20 0.36
MEN1 O00255 2/20 0.36
MAPT P10636 2/20 0.36
KMT2A Q03164 2/20 0.36
RARA P10276 2/20 0.36
MTOR P42345 1/20 0.36
ESR1 P03372 2/20 0.36
ADRA2A P08913 2/20 0.36
ADORA3 P0DMS8 2/20 0.36
TACR2 P21452 2/20 0.36
SLC6A2 P23975 2/20 0.36
SLC6A4 P31645 2/20 0.36
SLC6A3 Q01959 2/20 0.36

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
SCHEMBL2813389 0.82 TYR (0.42) HSD17B10TSHRLPLLIPGTRPV1
SCHEMBL2814697 0.82 TYR (0.42) HSD17B10TSHRLPLLIPGTRPV1
SCHEMBL2815176 0.82 TYR (0.42) HSD17B10TSHRLPLLIPGTRPV1
SCHEMBL21028839 0.81 RARB (0.50) RARBALDH1A1MEN1MAPTKMT2A
SCHEMBL4585477 0.80 TYR (0.41) HSD17B10TSHRLPLLIPGTRPV1
SCHEMBL13454830 0.79 HSD17B10 (0.47) RARBHSD17B10TSHRALDH1A1MEN1
SCHEMBL4584752 0.75 LIPG (0.41) HSD17B10TSHRLIPGALDH1A1MEN1
SCHEMBL2812711 0.74 MAPT (0.36) HSD17B10TSHRLIPGALDH1A1MEN1
SCHEMBL13454833 0.74 RAB9A (0.48) RARBHSD17B10TSHRALDH1A1MEN1
SCHEMBL13454837 0.74 RAB9A (0.48) RARBHSD17B10TSHRALDH1A1MEN1

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
US-20210230381-A1 DESIGN OF COMPOSITE MATERIALS WITH DESIRED CHARACTERISTICS NANOCORE APS (DK) 2021-07-29 US disclosed
US-11028240-B2 Composite materials with desired characteristics NANOCORE APS (DK) 2021-06-08 US disclosed
US-10301443-B2 Composite materials with desired characteristics NANOCORE APS (DK) 2019-05-28 US disclosed