SCHEMBL10692930

SCHEMBL10692930

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

nearest known ligand 0.40

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
▸ SPHK1 Q9NYA1 11/20 0.40
▸ RARB P10826 1/20 0.38
▸ L3MBTL1 Q9Y468 2/20 0.36
▸ TDP1 Q9NUW8 1/20 0.36
▸ MAPT P10636 2/20 0.35
▸ RAB9A P51151 2/20 0.35
▸ NPC1 O15118 1/20 0.35
▸ STAT3 P40763 1/20 0.35
▸ ATM Q13315 1/20 0.35
▸ SMN1; SMN2 Q16637 1/20 0.35
▸ SPHK2 Q9NRA0 7/20 0.35
▸ CASP3 P42574 1/20 0.35
▸ SENP8 Q96LD8 1/20 0.35
▸ SENP7 Q9BQF6 1/20 0.35
▸ SENP6 Q9GZR1 1/20 0.35

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
SCHEMBL10692925 1.00 SPHK1 (0.40) SPHK1RARBL3MBTL1TDP1MAPT
SCHEMBL10692424 0.98 SPHK1 (0.42) SPHK1RARBMAPTRAB9ANPC1
SCHEMBL10692428 0.98 SPHK1 (0.42) SPHK1RARBMAPTRAB9ANPC1
SCHEMBL10716288 0.86 SPHK1 (0.41) SPHK1RARBL3MBTL1TDP1MAPT
SCHEMBL10692937 0.86 SPHK1 (0.41) SPHK1RARBL3MBTL1TDP1MAPT
SCHEMBL10692430 0.84 SPHK1 (0.43) SPHK1RARBMAPTRAB9ANPC1
SCHEMBL11076068 0.84 SPHK1 (0.40) SPHK1RARBL3MBTL1TDP1MAPT
SCHEMBL11076070 0.84 SPHK1 (0.40) SPHK1RARBL3MBTL1TDP1MAPT
SCHEMBL10356880 0.83 MEN1 (0.41) SPHK1RARBL3MBTL1TDP1MAPT
SCHEMBL11066955 0.83 SPHK1 (0.39) SPHK1RARBL3MBTL1TDP1MAPT

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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