SCHEMBL28247100

SCHEMBL28247100

CN1C(C)(C)CC(C(CCCCCCC(=O)O)CC(=O)O)CC1(C)C

nearest known ligand 0.40

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
FFAR4 Q5NUL3 1/20 0.40
FFAR1 O14842 1/20 0.40
ALDH1A1 P00352 1/20 0.36
PTGER2 P43116 5/20 0.35
PTGER4 P35408 4/20 0.35
PTGER3 P43115 4/20 0.35
TBXA2R P21731 1/20 0.34
PTGFR P43088 1/20 0.34
GPR84 Q9NQS5 4/20 0.34
GSTK1 Q9Y2Q3 1/20 0.34
LMNA P02545 1/20 0.33
TSHR P16473 1/20 0.33
NFKB1 P19838 1/20 0.33
PMP22 Q01453 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
Sebacic Acid SCHEMBL28259015 0.92 TSHR (0.41) FFAR4FFAR1ALDH1A1PTGER2PTGER4
SCHEMBL28003722 0.90 FFAR4 (0.41) FFAR4FFAR1ALDH1A1PTGER2PTGER4
SCHEMBL26698391 0.89 L3MBTL1 (0.38) ALDH1A1PTGER2PTGER4PTGER3LMNA
SCHEMBL742992 0.89 L3MBTL1 (0.38) ALDH1A1PTGER2PTGER4PTGER3LMNA
SCHEMBL27921870 0.87 TSHR (0.37) FFAR4FFAR1ALDH1A1TSHR
SCHEMBL6694522 0.86 CYP1A2 (0.37) GPR84TSHRNFKB1
SCHEMBL1019749 0.82 FFAR4 (0.41) FFAR4FFAR1ALDH1A1PTGER2PTGER4
SCHEMBL727614 0.81 SMN1; SMN2 (0.34) FFAR4FFAR1ALDH1A1PTGER2PTGER4
SCHEMBL1562364 0.77 FFAR4 (0.37) FFAR4FFAR1ALDH1A1PTGER2PTGER4
Sebacic Acid SCHEMBL28520265 0.76 TSHR (0.43) FFAR4FFAR1ALDH1A1GPR84LMNA

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
CN-110023370-B Color-stable curing compositions of polyisocyanates containing (cyclo) aliphatic diisocyanates 巴斯夫欧洲公司 2021-10-22 CN disclosed
CN-110295017-A A kind of production method of high durable softness long persistence light storage film 浙江龙游道明光学有限公司 2019-10-01 CN disclosed
CN-108699361-A Gloss-retaining polyfluoro copolymers for coating applications 霍尼韦尔国际公司 2018-10-23 CN disclosed