SCHEMBL28812013

SCHEMBL28812013

CCC(O)CCCCC(C)N

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
OPRM1 P35372 1/20 0.56
TP53 P04637 2/20 0.50
TRPV1 Q8NER1 1/20 0.42
TRPA1 O75762 1/20 0.42
ALDH1A1 P00352 2/20 0.41
SPHK1 Q9NYA1 2/20 0.41
TDP1 Q9NUW8 1/20 0.41
TSHR P16473 1/20 0.36
GABRP O00591 2/20 0.36
GABRD O14764 2/20 0.36
GABRA1 P14867 2/20 0.36
GABRB1 P18505 2/20 0.36
GABRG2 P18507 2/20 0.36
GABRB3 P28472 2/20 0.36
GABRA5 P31644 2/20 0.36
GABRA3 P34903 2/20 0.36
GABRA2 P47869 2/20 0.36
GABRB2 P47870 2/20 0.36
GABRA4 P48169 2/20 0.36
GABRE P78334 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
SCHEMBL16409448 0.98 OPRM1 (0.54) OPRM1TP53TRPV1TRPA1ALDH1A1
SCHEMBL13472086 0.84
SCHEMBL6716581 0.84 GPR84 (0.42) TRPV1TRPA1SPHK1TSHRGPR84
SCHEMBL28578505 0.84 GPR84 (0.42) TRPV1TRPA1SPHK1TSHRGPR84
SCHEMBL28576044 0.84 GPR84 (0.42) TRPV1TRPA1SPHK1TSHRGPR84
SCHEMBL27869316 0.82 TRPV1 (0.39) OPRM1TP53TRPV1TRPA1SPHK1
SCHEMBL23530055 0.81 GPR84 (0.46) TRPV1TRPA1SPHK1TSHRGPR84
SCHEMBL30787307 0.81 GPR84 (0.46) TRPV1TRPA1SPHK1TSHRGPR84
SCHEMBL30787291 0.81 GPR84 (0.46) TRPV1TRPA1SPHK1TSHRGPR84
SCHEMBL30787116 0.81 GPR84 (0.46) TRPV1TRPA1SPHK1TSHRGPR84

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
CN-103724261-A Novel industrial production method for hydroxychloroquine sulfate WUHAN WUYAO PHARMACEUTICAL CO LTD 2014-04-16 CN claimed
CN-103724261-B A kind of industrialized process for preparing of hydroxychloroquine sulfate quinoline WUHAN WUYAO PHARMACEUTICAL CO., LTD. (CN) 2016-05-25 CN disclosed
CN-103724261-B A kind of industrialized process for preparing of hydroxychloroquine sulfate quinoline WUHAN WUYAO PHARMACEUTICAL CO., LTD. (CN) 2016-05-25 CN disclosed
CN-103724261-A Novel industrial production method for hydroxychloroquine sulfate WUHAN WUYAO PHARMACEUTICAL CO LTD 2014-04-16 CN disclosed