SCHEMBL5799307

SCHEMBL5799307

CC(=O)CC(=O)OCCC(C)CCC=C(C)C

nearest known ligand 0.71

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
ALOX15 P16050 3/20 0.71
EPHX2 P34913 1/20 0.49
ALDH1A1 P00352 2/20 0.49
NFE2L2 Q16236 1/20 0.42
USP2 O75604 1/20 0.41
TDP1 Q9NUW8 1/20 0.38
GGPS1 O95749 2/20 0.38
FDPS P14324 2/20 0.38
TSHR P16473 1/20 0.38
MGAM O43451 1/20 0.35
GAA P10253 1/20 0.35
SI P14410 1/20 0.35
MGAM2 Q2M2H8 1/20 0.35
GLA P06280 1/20 0.35

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
SCHEMBL7698537 0.93 ALOX15 (0.75) ALOX15EPHX2ALDH1A1NFE2L2USP2
SCHEMBL27494586 0.87 ALOX15 (0.71) ALOX15EPHX2ALDH1A1NFE2L2USP2
SCHEMBL22832776 0.87 ALOX15 (0.75) ALOX15EPHX2ALDH1A1NFE2L2USP2
SCHEMBL18154853 0.86 ALOX15 (0.47) ALOX15EPHX2ALDH1A1TDP1MGAM
SCHEMBL19900379 0.86 ALOX15 (0.69) ALOX15EPHX2ALDH1A1NFE2L2USP2
SCHEMBL396918 0.85 ALOX15 (0.73) ALOX15EPHX2ALDH1A1NFE2L2USP2
SCHEMBL1865826 0.85 ALOX15 (0.73) ALOX15EPHX2ALDH1A1NFE2L2USP2
SCHEMBL13176163 0.85 ALOX15 (0.73) ALOX15EPHX2ALDH1A1NFE2L2USP2
SCHEMBL30754356 0.85 ALOX15 (0.73) ALOX15EPHX2ALDH1A1NFE2L2USP2
SCHEMBL15727370 0.85 ALOX15 (0.73) ALOX15EPHX2ALDH1A1NFE2L2USP2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2006024885-A1 PROCESS FOR THE PREPARATION OF POLYISOCYANATE/POLYSILICIC ACID BASED POLYADDITION AND HYBRID RESINS USING BLOCKED POLYISO-CYANATES AND BLOCKED POLYISOCYANATES USABLE IN THE PROCESS POLINVENT FEJLESZTO, KIVITELEZO ÉS ÉRTÉKESÍTO KFT (HU) 2006-03-09 WO claimed
CN-115768527-A Hair conditioning composition 宝洁公司 2023-03-07 CN disclosed