SCHEMBL10692428

SCHEMBL10692428

[CH2][C@H]1CC[C@H](c2ncc(CCCCCCCCCCCC)cn2)CC1

nearest known ligand 0.42

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
▸ SPHK1 Q9NYA1 12/20 0.42
▸ RARB P10826 1/20 0.40
▸ MAPT P10636 2/20 0.38
▸ RAB9A P51151 2/20 0.38
▸ SMN1; SMN2 Q16637 2/20 0.38
▸ NPC1 O15118 1/20 0.38
▸ STAT3 P40763 1/20 0.38
▸ ATM Q13315 1/20 0.38
▸ SPHK2 Q9NRA0 7/20 0.37
▸ KDM4E B2RXH2 1/20 0.36
▸ MEN1 O00255 1/20 0.36
▸ USP2 O75604 1/20 0.36
▸ ALDH1A1 P00352 1/20 0.36
▸ GAA P10253 1/20 0.36
▸ HPGD P15428 1/20 0.36
▸ KMT2A Q03164 1/20 0.36
▸ HSD17B10 Q99714 1/20 0.36

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
SCHEMBL10692424 1.00 SPHK1 (0.42) SPHK1RARBMAPTRAB9ASMN1; SMN2
SCHEMBL10692925 0.98 SPHK1 (0.40) SPHK1RARBMAPTRAB9ASMN1; SMN2
SCHEMBL10692930 0.98 SPHK1 (0.40) SPHK1RARBMAPTRAB9ASMN1; SMN2
SCHEMBL10692430 0.86 SPHK1 (0.43) SPHK1RARBMAPTRAB9ASMN1; SMN2
SCHEMBL10340998 0.85 SPHK1 (0.42) SPHK1RARBMAPTRAB9ASMN1; SMN2
SCHEMBL10341000 0.85 SPHK1 (0.42) SPHK1RARBMAPTRAB9ASMN1; SMN2
SCHEMBL10716288 0.84 SPHK1 (0.41) SPHK1RARBMAPTRAB9ASMN1; SMN2
SCHEMBL10692937 0.84 SPHK1 (0.41) SPHK1RARBMAPTRAB9ASMN1; SMN2
SCHEMBL10567852 0.84 SPHK1 (0.41) SPHK1RARBMAPTRAB9ASMN1; SMN2
SCHEMBL11070812 0.84 SPHK1 (0.41) SPHK1RARBMAPTRAB9ASMN1; 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-4776973-A LIQUID CRYSTAL ELECTROOPTICS DISPLAY DEVICE MERCK PATENT GESELLSCHAFT MIT BESCHRANKTER HAFTUNG (DE) 1988-10-11 — — US disclosed
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