SCHEMBL14579980

SCHEMBL14579980

CCc1ccc(OCC(COc2ccc(CC)cc2)Oc2ccc(CC)cc2)cc1

nearest known ligand 0.50

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
▸ ALDH1A1 P00352 2/20 0.43
▸ MAPT P10636 2/20 0.43
▸ LMNA P02545 1/20 0.43
▸ HPGD P15428 1/20 0.43
▸ SMN1; SMN2 Q16637 1/20 0.43
▸ PPARG P37231 1/20 0.42
▸ PPARA Q07869 1/20 0.42
▸ RXRA P19793 1/20 0.42
▸ RXRB P28702 1/20 0.42
▸ CYP2C9 P11712 1/20 0.42
▸ TSHR P16473 1/20 0.42
▸ PLA2G2A P14555 1/20 0.41
▸ GAA P10253 1/20 0.40
▸ TDP1 Q9NUW8 1/20 0.40
▸ L3MBTL1 Q9Y468 1/20 0.40
▸ SOD1 P00441 1/20 0.40
▸ NQO1 P15559 1/20 0.39
▸ HTT P42858 1/20 0.39

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
SCHEMBL19944345 0.84 CYP2C9 (0.55) ALDH1A1MAPTLMNAHPGDSMN1; SMN2
SCHEMBL7477540 0.79 NPC1 (0.54) ALDH1A1MAPTLMNAHPGDSMN1; SMN2
SCHEMBL9167857 0.78 ACACB (0.40) CYP2C9TSHRPLA2G2ATDP1NQO1
SCHEMBL14423980 0.78 CYP2C9 (0.72) ALDH1A1MAPTLMNAHPGDSMN1; SMN2
SCHEMBL9768738 0.78 NQO1 (0.48) ALDH1A1MAPTLMNAHPGDSMN1; SMN2
SCHEMBL18067940 0.78 ACACB (0.47) ALDH1A1MAPTLMNAHPGDSMN1; SMN2
SCHEMBL9343769 0.77 ALDH1A1 (0.48) ALDH1A1MAPTLMNAHPGDSMN1; SMN2
SCHEMBL9721341 0.76 LMNA (0.62) ALDH1A1MAPTLMNARXRARXRB
SCHEMBL14528314 0.76 FFAR1 (0.50) ALDH1A1MAPTLMNAHPGDSMN1; SMN2
SCHEMBL18295408 0.76 SLC6A4 (0.46) ALDH1A1MAPTLMNAHPGDSMN1; 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-20070032621-A1 Novel polyvinyl alcohols and novel polyvinyl alcohol copolymers CELANESE VENTURES GMBH (DE) 2007-02-08 — — US disclosed
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