SCHEMBL11410645

SCHEMBL11410645

CCCCc1ccc(C(=O)Oc2ccc(C3CCC(CC)CC3)cc2)cc1

nearest known ligand 0.48

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
▸ SPHK1 Q9NYA1 12/20 0.45
▸ MAPT P10636 2/20 0.44
▸ SMN1; SMN2 Q16637 1/20 0.44
▸ CYP2C9 P11712 1/20 0.44
▸ SPHK2 Q9NRA0 7/20 0.43
▸ ALDH1A1 P00352 1/20 0.43
▸ LMNA P02545 1/20 0.43
▸ THRB P10828 1/20 0.42

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
SCHEMBL11408186 1.00 SPHK1 (0.45) SPHK1MAPTSMN1; SMN2CYP2C9SPHK2
SCHEMBL11416206 0.97 SPHK1 (0.50) SPHK1MAPTSMN1; SMN2SPHK2THRB
SCHEMBL11413919 0.97 SPHK1 (0.50) SPHK1MAPTSMN1; SMN2SPHK2THRB
SCHEMBL11411622 0.95 SPHK1 (0.52) SPHK1MAPTSMN1; SMN2SPHK2THRB
SCHEMBL11411631 0.95 SPHK1 (0.52) SPHK1MAPTSMN1; SMN2SPHK2THRB
SCHEMBL11419283 0.95 SPHK1 (0.52) SPHK1MAPTSMN1; SMN2SPHK2THRB
SCHEMBL11411012 0.95 SPHK1 (0.52) SPHK1MAPTSMN1; SMN2SPHK2THRB
SCHEMBL11410617 0.95 SPHK1 (0.52) SPHK1MAPTSMN1; SMN2SPHK2THRB
SCHEMBL11411710 0.93 CYP2C9 (0.46) SPHK1MAPTSMN1; SMN2CYP2C9ALDH1A1
SCHEMBL11412000 0.93 CYP2C9 (0.46) SPHK1MAPTSMN1; SMN2CYP2C9ALDH1A1

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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