SCHEMBL19445752

SCHEMBL19445752

C=C(C)c1cc(C(C)CCCCC)ccc1CC

nearest known ligand 0.35

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
▸ GPR84 Q9NQS5 1/20 0.35
▸ NR1I2 O75469 1/20 0.34
▸ CA1 P00915 2/20 0.33
▸ TP53 P04637 1/20 0.33
▸ ALDH1A1 P00352 1/20 0.32
▸ CA2 P00918 1/20 0.32
▸ LTB4R Q15722 1/20 0.32
▸ MLYCD O95822 1/20 0.32
▸ ACE2 Q9BYF1 1/20 0.31
▸ ADRB2 P07550 3/20 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
SCHEMBL9176898 0.74 THRA (0.40) GPR84NR1I2MLYCD
SCHEMBL6678858 0.72 OPRM1 (0.44) GPR84NR1I2CA1ADRB2
SCHEMBL27374196 0.71 KAT8 (0.57) CA1ALDH1A1CA2
SCHEMBL3227231 0.71 KAT8 (0.57) CA1ALDH1A1CA2
SCHEMBL15524468 0.71 TRPA1 (0.42) ALDH1A1
SCHEMBL20197447 0.71 — —
SCHEMBL3213862 0.70 KAT8 (0.56) CA1ALDH1A1CA2
SCHEMBL23920298 0.70 HSD17B10 (0.46) TP53ALDH1A1ADRB2
SCHEMBL340478 0.70 USP2 (0.42) GPR84NR1I2ALDH1A1CA2ADRB2
SCHEMBL9137197 0.70 SLC2A1 (0.44) GPR84NR1I2

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
EP-2709619-B1 COMPOUNDS FOR USE IN TREATMENT OF MUCOSITIS CELLCEUTIX CORP (US) 2017-10-11 — — EP disclosed
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