SCHEMBL6005092

SCHEMBL6005092

O=[C]C=CCCCCCCCCCCCCCO

nearest known ligand 0.35

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
GPR84 Q9NQS5 1/20 0.32
FFAR1 O14842 1/20 0.32
FFAR4 Q5NUL3 1/20 0.32
HMGCR P04035 2/20 0.32
CNR1 P21554 1/20 0.31
LMNA P02545 2/20 0.31
ALDH1A1 P00352 1/20 0.31
HSD17B10 Q99714 1/20 0.31
MEN1 O00255 1/20 0.31
KMT2A Q03164 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
SCHEMBL6008003 1.00 GPR84 (0.32) GPR84FFAR1FFAR4HMGCRCNR1
SCHEMBL8613716 1.00 GPR84 (0.32) GPR84FFAR1FFAR4HMGCRCNR1
SCHEMBL6007869 1.00 GPR84 (0.32) GPR84FFAR1FFAR4HMGCRCNR1
SCHEMBL6668861 1.00 GPR84 (0.32) GPR84FFAR1FFAR4HMGCRCNR1
SCHEMBL28286901 0.90
SCHEMBL570226 0.79
SCHEMBL8320680 0.78 FAAH (0.50) TSHR
SCHEMBL2163660 0.76 FAAH (0.54) LMNAHSD17B10MEN1KMT2ATSHR
SCHEMBL7352848 0.76 TSHR (0.42) LMNAALDH1A1TSHR
SCHEMBL19923331 0.76 HMGCR (0.35) HMGCR

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
US-20210241846-A1 MULTICELLULAR METABOLIC MODELS AND METHODS GENOMATICA INC (US) 2021-08-05 US disclosed
US-20150302141-A1 MULTICELLULAR METABOLIC MODELS AND METHODS GENOMATICA INC (US) 2015-10-22 US disclosed
US-8949032-B2 Multicellular metabolic models and methods GENOMATICA, INC. (US) 2015-02-03 US disclosed
US-20060147899-A1 Multicellular metabolic models and methods GENOMATICA, INC. 2006-07-06 US disclosed