SCHEMBL8860436

SCHEMBL8860436

CCCCCc1ccc(-c2ccc(-c3ncc(OCC(OCCCC)C(F)(F)F)cn3)cc2)cc1

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RAB9A P51151 6/20 0.48
MAPT P10636 5/20 0.48
SMN1; SMN2 Q16637 5/20 0.48
MEN1 O00255 3/20 0.48
ALDH1A1 P00352 3/20 0.48
KMT2A Q03164 3/20 0.48
KDM4E B2RXH2 2/20 0.48
HSD17B10 Q99714 2/20 0.48
USP2 O75604 2/20 0.48
GAA P10253 1/20 0.48
HPGD P15428 1/20 0.48
RARB P10826 6/20 0.43
NPC1 O15118 4/20 0.41
L3MBTL1 Q9Y468 1/20 0.40
CASP3 P42574 1/20 0.40
SENP8 Q96LD8 1/20 0.40
SENP7 Q9BQF6 1/20 0.40
SENP6 Q9GZR1 1/20 0.40
RARA P10276 1/20 0.39
MTOR P42345 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
SCHEMBL8860697 0.98 RAB9A (0.48) RAB9AMAPTSMN1; SMN2MEN1ALDH1A1
SCHEMBL8861010 0.97 RAB9A (0.50) RAB9AMAPTSMN1; SMN2MEN1ALDH1A1
SCHEMBL8860795 0.97 RAB9A (0.50) RAB9AMAPTSMN1; SMN2MEN1ALDH1A1
SCHEMBL8860661 0.97 RAB9A (0.50) RAB9AMAPTSMN1; SMN2MEN1ALDH1A1
SCHEMBL8860506 0.97 RAB9A (0.50) RAB9AMAPTSMN1; SMN2MEN1ALDH1A1
SCHEMBL8860918 0.94 RAB9A (0.49) RAB9AMAPTSMN1; SMN2MEN1ALDH1A1
SCHEMBL8860721 0.93 RAB9A (0.48) RAB9AMAPTSMN1; SMN2MEN1ALDH1A1
SCHEMBL8860737 0.93 RAB9A (0.48) RAB9AMAPTSMN1; SMN2MEN1ALDH1A1
SCHEMBL8860660 0.93 RAB9A (0.48) RAB9AMAPTSMN1; SMN2MEN1ALDH1A1
SCHEMBL8860881 0.90 RARB (0.52) RAB9AMAPTSMN1; SMN2MEN1ALDH1A1

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-5665270-A Optically active trifluorolactic acid derivative and liquid crystal composition CHISSO CORPORATION (JP) 1997-09-09 US disclosed
EP-0592669-A1 OPTICALLY ACTIVE TRIFLUOROLACTIC ACID DERIVATIVE AND LIQUID CRYSTAL COMPOSITION CHISSO CORPORATION (JP) 1994-04-20 EP disclosed