SCHEMBL4781179

SCHEMBL4781179

CCCCC(C)C(=O)OC1CCCCC1OC(=O)C(C)CCCC

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NAAA Q02083 2/20 0.40
CA1 P00915 3/20 0.39
CCR2 P41597 1/20 0.37
CTSL P07711 1/20 0.37
CTSB P07858 1/20 0.37
CTSK P43235 1/20 0.37
CA2 P00918 1/20 0.37
MMP1 P03956 1/20 0.35
MMP7 P09237 1/20 0.35
MMP12 P39900 1/20 0.35
ECE1 P42892 1/20 0.35
MMP13 P45452 1/20 0.35
TSHR P16473 2/20 0.35
MAPT P10636 2/20 0.34
MEN1 O00255 2/20 0.34
KMT2A Q03164 2/20 0.34
POLB P06746 1/20 0.34
METAP1 P53582 1/20 0.34
SIGMAR1 Q99720 1/20 0.34
FDPS P14324 1/20 0.33

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
SCHEMBL4778909 0.95 CA1 (0.46) NAAACA1CCR2TSHRKMT2A
SCHEMBL4781335 0.89 CHRM2 (0.37) NAAAMEN1KMT2AALDH1A1
SCHEMBL28445226 0.89 NAAA (0.42) NAAACA1CCR2TSHR
SCHEMBL27781082 0.89 NAAA (0.33) NAAACA1CCR2CTSLCTSB
SCHEMBL5052877 0.88 NAAA (0.37) NAAACTSLCTSBCTSKTSHR
SCHEMBL4743690 0.85 NAAA (0.53) NAAACA1CCR2CTSLCTSB
SCHEMBL3266694 0.82 EPHX2 (0.37) MEN1KMT2AALDH1A1
SCHEMBL3181529 0.81 CA2 (0.56) NAAACA1CA2TSHRCYP3A4
SCHEMBL3181537 0.81 CA2 (0.56) NAAACA1CA2TSHRCYP3A4
SCHEMBL8856255 0.80 NAAA (0.57) NAAACA1CCR2TSHR

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
WO-2008004788-A1 NOVEL DERIVATIVES OF CYCLIC COMPOUND AND THE USE THEREOF WONKISOPHARM CO., LTD. (KR) 2008-01-10 WO claimed
CN-106309421-B Pharmaceutical composition and cosmetic composition 沃凯索法株式会社 2020-08-25 CN disclosed
US-8420853-B2 Derivatives of cyclic compound and the use thereof Wonkisopharm Co., Ltd (KR) 2013-04-16 US disclosed
WO-2008004788-A1 NOVEL DERIVATIVES OF CYCLIC COMPOUND AND THE USE THEREOF WONKISOPHARM CO., LTD. (KR) 2008-01-10 WO disclosed