SCHEMBL10778049

SCHEMBL10778049

CC(CCCCCCCCCC(O)(CC(=O)O)CC(=O)O)C1CCCCC1

nearest known ligand 0.49

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
▸ FFAR1 O14842 1/20 0.35
▸ CPT2 P23786 1/20 0.35
▸ TDP1 Q9NUW8 1/20 0.35
▸ ALDH1A1 P00352 1/20 0.33
▸ HSPD1 P10809 1/20 0.33
▸ BLM P54132 1/20 0.33
▸ HSPE1 P61604 1/20 0.33
▸ EPHX1 P07099 1/20 0.32
▸ EPHX2 P34913 3/20 0.32
▸ CPB2 Q96IY4 1/20 0.31
▸ ACACB O00763 1/20 0.31
▸ ACACA Q13085 1/20 0.31
▸ SMN1; SMN2 Q16637 1/20 0.31
▸ TSHR P16473 1/20 0.31

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
SCHEMBL10777116 1.00 FFAR1 (0.35) FFAR1CPT2TDP1ALDH1A1HSPD1
SCHEMBL10781996 1.00 FFAR1 (0.35) FFAR1CPT2TDP1ALDH1A1HSPD1
SCHEMBL10938912 0.85 ALDH1A1 (0.35) FFAR1CPT2TDP1ALDH1A1HSPD1
SCHEMBL9764526 0.85 GPR84 (0.33) FFAR1ALDH1A1ACACBACACA
SCHEMBL10940210 0.82 HSPD1 (0.39) ALDH1A1HSPD1BLMHSPE1EPHX1
SCHEMBL10781633 0.75 KDM5A (0.48) FFAR1CPT2TDP1EPHX1
SCHEMBL10780211 0.75 KDM5A (0.48) FFAR1CPT2TDP1EPHX1
SCHEMBL10783114 0.75 KDM5A (0.48) FFAR1CPT2TDP1EPHX1
SCHEMBL10978610 0.75 KDM5A (0.48) FFAR1CPT2TDP1EPHX1
SCHEMBL10940711 0.75 KDM5A (0.48) FFAR1CPT2TDP1EPHX1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-4645858-A Pentanedioic acid derivatives G. D. SEARLE & CO. (US) 1987-02-24 — — US disclosed
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