SCHEMBL28295183

SCHEMBL28295183

CCCCOOCC(C)CCC(C)COOCCCC

nearest known ligand 0.35

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
ADRB2 P07550 1/20 0.35
ADRB1 P08588 1/20 0.35
ADRB3 P13945 1/20 0.35
ACE2 Q9BYF1 1/20 0.32
OPRM1 P35372 1/20 0.32
CYP3A4 P08684 2/20 0.31
TSHR P16473 1/20 0.31
ALDH1A1 P00352 1/20 0.30
HSD17B10 Q99714 1/20 0.30

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
SCHEMBL5615115 0.94 LMNA (0.31) ADRB2ADRB1ADRB3
SCHEMBL28565872 0.83 LMNA (0.30) ADRB2ADRB1ADRB3
SCHEMBL27635146 0.82 DNM1 (0.38) ACE2OPRM1CYP3A4TSHRALDH1A1
SCHEMBL11821646 0.82 HSD17B10 (0.32) ADRB2ADRB1ADRB3OPRM1HSD17B10
SCHEMBL11831694 0.80 HSD17B10 (0.40) CYP3A4TSHRHSD17B10
SCHEMBL1128321 0.80 ADRB2 (0.38) ADRB2ADRB1ADRB3CYP3A4TSHR
SCHEMBL1100183 0.76 TSHR (0.48) TSHRHSD17B10
SCHEMBL124126 0.76 ADRB2 (0.53) ADRB2ADRB1ADRB3CYP3A4TSHR
SCHEMBL11138969 0.75 LMNA (0.38) ADRB2ADRB1ADRB3OPRM1CYP3A4
SCHEMBL6015046 0.73 USP2 (0.42) ADRB2ADRB1ADRB3CYP3A4TSHR

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-109790351-A A kind of doped solution being used to prepare optical thin film and the optical thin film using it LG MMA股份有限公司 2019-05-21 CN disclosed