SCHEMBL27958482

SCHEMBL27958482

CCCCCCCCCCCCCOC(N)=S.NC(O)=S

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CA12 O43570 3/20 0.55
CA1 P00915 3/20 0.55
CA2 P00918 3/20 0.55
CA9 Q16790 3/20 0.55
NAAA Q02083 1/20 0.47
HCAR2 Q8TDS4 2/20 0.44
EPHX1 P07099 1/20 0.44
TSHR P16473 2/20 0.42
LPAR2 Q9HBW0 3/20 0.42
LPAR3 Q9UBY5 3/20 0.42
HTR2C P28335 1/20 0.42
PRSS1 P07477 1/20 0.41
PRSS2 P07478 1/20 0.41
PRSS3 P35030 1/20 0.41
RAD52 P43351 1/20 0.40
NPSR1 Q6W5P4 1/20 0.40
NPC1 O15118 1/20 0.40
MAPT P10636 1/20 0.40
RAB9A P51151 1/20 0.40
ALDH1A1 P00352 1/20 0.40

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
SCHEMBL5708958 1.00 CA12 (0.55) CA12CA1CA2CA9NAAA
SCHEMBL27416532 1.00 CA12 (0.55) CA12CA1CA2CA9NAAA
SCHEMBL5182546 1.00 CA12 (0.55) CA12CA1CA2CA9NAAA
SCHEMBL27879770 1.00 CA12 (0.55) CA12CA1CA2CA9NAAA
SCHEMBL22807088 1.00 CA12 (0.55) CA12CA1CA2CA9NAAA
SCHEMBL5556969 1.00 CA12 (0.55) CA12CA1CA2CA9NAAA
Methane SCHEMBL11850443 0.98 CA12 (0.53) CA12CA1CA2CA9NAAA
SCHEMBL447115 0.98 CA12 (0.53) CA12CA1CA2CA9NAAA
SCHEMBL29528 0.98 CA12 (0.56) CA12CA1CA2CA9NAAA
SCHEMBL6691892 0.96 CA12 (0.59) CA12CA1CA2CA9NAAA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-110156719-A A kind of thiadiazole compound and its preparation method and application containing waste propylhomoserin ester 长沙望城石油化工有限公司 2019-08-23 CN disclosed
CN-105733768-B Special heavily loaded climbing diesel engine oil in a kind of mining area and preparation method thereof 北京雅士科莱恩石油化工有限公司 2018-08-14 CN disclosed
CN-105542922-B A kind of energy-saving diesel machine oil of overlength oil drain interval and preparation method thereof 北京雅士科莱恩石油化工有限公司 2018-05-22 CN disclosed
CN-103781888-B Biodegradable lubricating oil composition IDEMITSU KOSAN CO.,LTD. (JP) 2016-01-13 CN disclosed
CN-105018189-A Lubricating oil compound JX NIPPON OIL & ENERGY CORP 2015-11-04 CN disclosed
CN-103781888-A Biodegradable lubricating oil composition IDEMITSU KOSAN CO 2014-05-07 CN disclosed