Citronellic Acid

Citronellic Acid

SCHEMBL30396281

CC(C)=CCCC(C)CC(=O)O.CC(C)=CCCC(C)CCOCC=O

nearest known ligand 0.54

Full drug profile on Sugi Atlas →

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
ALOX15 P16050 4/20 0.54
ALDH1A1 P00352 2/20 0.42
NFE2L2 Q16236 1/20 0.38
USP2 O75604 1/20 0.37
GGPS1 O95749 2/20 0.37
FDPS P14324 2/20 0.37
TSHR P16473 1/20 0.36
GLA P06280 1/20 0.34
EPHX2 P34913 1/20 0.34
TDP1 Q9NUW8 1/20 0.32
FNTA P49354 1/20 0.32
FNTB P49356 1/20 0.32

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
SCHEMBL130555 0.90 ALOX15 (0.60) ALOX15ALDH1A1NFE2L2USP2GGPS1
SCHEMBL30879511 0.90 ALOX15 (0.60) ALOX15ALDH1A1NFE2L2USP2GGPS1
SCHEMBL13280347 0.87 ALOX15 (0.57) ALOX15ALDH1A1NFE2L2USP2GGPS1
Citronellal SCHEMBL6729294 0.84 ALOX15 (0.54) ALOX15ALDH1A1NFE2L2USP2GGPS1
Citronellic Acid SCHEMBL712982 0.82 ALOX15 (0.55) ALOX15ALDH1A1USP2GGPS1FDPS
Citronellic Acid SCHEMBL193354 0.82 ALOX15 (0.55) ALOX15ALDH1A1USP2GGPS1FDPS
Citronellic Acid SCHEMBL714852 0.82 ALOX15 (0.55) ALOX15ALDH1A1USP2GGPS1FDPS
Citronellic Acid SCHEMBL1375886 0.80 ALOX15 (0.53) ALOX15ALDH1A1USP2GGPS1FDPS
Citronellic Acid SCHEMBL1375889 0.80 ALOX15 (0.53) ALOX15ALDH1A1USP2GGPS1FDPS
SCHEMBL5980653 0.80 ALOX15 (0.49) ALOX15ALDH1A1NFE2L2USP2TSHR

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-116782923-A Scar treatment composition 塔普克斯制药公司 2023-09-19 CN disclosed
CN-116710081-A Scar treatment composition 塔普克斯制药公司 2023-09-05 CN disclosed
CN-116075310-A Topical vitamin C compositions 塔普克斯制药公司 2023-05-05 CN disclosed