SCHEMBL11423006

SCHEMBL11423006

CCCCCCCCc1ccc(C(=O)Oc2ccc(C3CCC(CCCCCCCC)CC3)cc2)cc1

nearest known ligand 0.54

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
▸ SPHK1 Q9NYA1 13/20 0.51
▸ SPHK2 Q9NRA0 7/20 0.48
▸ CYP2C9 P11712 1/20 0.47
▸ MAPT P10636 2/20 0.47
▸ SMN1; SMN2 Q16637 1/20 0.47
▸ THRA P10827 1/20 0.46
▸ THRB P10828 1/20 0.46
▸ ALDH1A1 P00352 1/20 0.46
▸ LMNA P02545 1/20 0.46

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
SCHEMBL11404188 1.00 SPHK1 (0.51) SPHK1SPHK2CYP2C9MAPTSMN1; SMN2
SCHEMBL11498753 1.00 SPHK1 (0.51) SPHK1SPHK2CYP2C9MAPTSMN1; SMN2
SCHEMBL11415518 1.00 SPHK1 (0.51) SPHK1SPHK2CYP2C9MAPTSMN1; SMN2
SCHEMBL11407291 1.00 SPHK1 (0.51) SPHK1SPHK2CYP2C9MAPTSMN1; SMN2
SCHEMBL11409215 1.00 SPHK1 (0.51) SPHK1SPHK2CYP2C9MAPTSMN1; SMN2
SCHEMBL11406635 1.00 SPHK1 (0.51) SPHK1SPHK2CYP2C9MAPTSMN1; SMN2
SCHEMBL11412025 1.00 SPHK1 (0.51) SPHK1SPHK2CYP2C9MAPTSMN1; SMN2
SCHEMBL11418397 1.00 SPHK1 (0.51) SPHK1SPHK2CYP2C9MAPTSMN1; SMN2
SCHEMBL11406446 1.00 SPHK1 (0.51) SPHK1SPHK2CYP2C9MAPTSMN1; SMN2
SCHEMBL19728597 1.00 SPHK1 (0.51) SPHK1SPHK2CYP2C9MAPTSMN1; SMN2

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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