SCHEMBL11467121

SCHEMBL11467121

CCCOc1ccc(-c2nnc(CCCC(C)(C)C)nc2-c2ccc(OCCC)cc2)cc1

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ GPR84 Q9NQS5 1/20 0.49
▸ RAB9A P51151 5/20 0.40
▸ NPC1 O15118 4/20 0.40
▸ HSD17B10 Q99714 4/20 0.40
▸ GAA P10253 2/20 0.40
▸ TP53 P04637 2/20 0.40
▸ CYP1A2 P05177 2/20 0.40
▸ SMN1; SMN2 Q16637 3/20 0.39
▸ KDM4E B2RXH2 3/20 0.39
▸ ALDH1A1 P00352 3/20 0.39
▸ CYP19A1 P11511 3/20 0.39
▸ HPGD P15428 2/20 0.39
▸ ALOX12 P18054 1/20 0.39
▸ L3MBTL1 Q9Y468 1/20 0.39
▸ CYP2D6 P10635 2/20 0.38
▸ CYP3A4 P08684 1/20 0.38
▸ MAPT P10636 2/20 0.38
▸ CYP2C9 P11712 2/20 0.37
▸ CYP2C19 P33261 2/20 0.37
▸ ACACB O00763 1/20 0.37

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
SCHEMBL11483085 0.81 ACACB (0.47) GPR84RAB9ANPC1HSD17B10GAA
SCHEMBL11470583 0.76 GPR84 (0.65) GPR84RAB9ANPC1TP53SMN1; SMN2
SCHEMBL11477306 0.76 GPR84 (0.51) GPR84RAB9ANPC1HSD17B10TP53
SCHEMBL11483171 0.74 RAB9A (0.49) RAB9ANPC1HSD17B10GAATP53
SCHEMBL11865062 0.73 RAB9A (0.46) RAB9ANPC1HSD17B10GAATP53
SCHEMBL11477154 0.72 GPR84 (0.67) GPR84KDM4EALDH1A1HPGDL3MBTL1
SCHEMBL11475908 0.72 RAB9A (0.47) RAB9ANPC1HSD17B10GAATP53
SCHEMBL11469963 0.72 GAA (0.48) RAB9ANPC1HSD17B10GAATP53
SCHEMBL11483838 0.71 PTGES (0.48) RAB9ANPC1HSD17B10GAATP53
SCHEMBL11470516 0.71 PTGES (0.48) RAB9ANPC1HSD17B10GAATP53

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-4190725-A ANTIINFLAMMATORY ELI LILLY AND COMPANY (US) 1980-02-26 — — US disclosed
Send feedback