SCHEMBL11416560

SCHEMBL11416560

CCCCCCCCC1CCC(c2ccc(C(=O)Oc3ccc(C)cc3)cc2)CC1

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ CYP2C9 P11712 2/20 0.49
▸ MAPT P10636 7/20 0.47
▸ LMNA P02545 3/20 0.47
▸ ALDH1A1 P00352 3/20 0.47
▸ NPC1 O15118 3/20 0.44
▸ SMN1; SMN2 Q16637 3/20 0.44
▸ NFKB1 P19838 2/20 0.44
▸ NFKB2 Q00653 2/20 0.44
▸ RELA Q04206 2/20 0.44
▸ KMT2A Q03164 4/20 0.42
▸ MEN1 O00255 3/20 0.42
▸ MAPK1 P28482 1/20 0.42
▸ CYP1A2 P05177 1/20 0.42
▸ CYP3A4 P08684 1/20 0.42
▸ CYP2D6 P10635 1/20 0.42
▸ CYP2C19 P33261 1/20 0.42
▸ MGLL Q99685 1/20 0.41
▸ HPGD P15428 1/20 0.41
▸ PRSS1 P07477 2/20 0.41
▸ ACR P10323 2/20 0.41

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
SCHEMBL11405579 1.00 CYP2C9 (0.49) CYP2C9MAPTLMNAALDH1A1NPC1
SCHEMBL11406106 1.00 CYP2C9 (0.49) CYP2C9MAPTLMNAALDH1A1NPC1
SCHEMBL11405181 1.00 CYP2C9 (0.49) CYP2C9MAPTLMNAALDH1A1NPC1
SCHEMBL11418435 1.00 CYP2C9 (0.49) CYP2C9MAPTLMNAALDH1A1NPC1
SCHEMBL11407420 1.00 CYP2C9 (0.49) CYP2C9MAPTLMNAALDH1A1NPC1
SCHEMBL11412551 0.99 CYP2C9 (0.50) CYP2C9MAPTLMNAALDH1A1NPC1
SCHEMBL8771591 0.99 CYP2C9 (0.50) CYP2C9MAPTLMNAALDH1A1NPC1
SCHEMBL19647621 0.96 CYP2C9 (0.47) CYP2C9MAPTLMNAALDH1A1NPC1
SCHEMBL11412253 0.95 CYP2C9 (0.51) CYP2C9MAPTLMNAALDH1A1NPC1
SCHEMBL11416797 0.95 CYP2C9 (0.51) CYP2C9MAPTLMNAALDH1A1NPC1

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-4229315-A FOR DISPLAY ELEMENTS MERCK PATENT GESELLSCHAFT MIT BESCHRANKTER HAFTUNG (DE) 1980-10-21 — — US disclosed
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