SCHEMBL9228017

SCHEMBL9228017

CCCCCOc1ccc2cc(OCc3ccc(C(=O)OC[C@H](C)CC)cc3)ccc2c1

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 1/20 0.50
THRA P10827 1/20 0.46
MAOB P27338 2/20 0.43
LMNA P02545 3/20 0.43
CYP1A2 P05177 2/20 0.43
CYP2D6 P10635 2/20 0.43
CYP2C19 P33261 2/20 0.43
TSHR P16473 2/20 0.43
SMN1; SMN2 Q16637 2/20 0.43
ESR1 P03372 1/20 0.43
MAPK1 P28482 1/20 0.43
NR1H2 P55055 1/20 0.43
RNASEL Q05823 1/20 0.43
NPC1 O15118 2/20 0.43
CYP3A4 P08684 1/20 0.43
CYP2C9 P11712 1/20 0.43
PLA2G4B P0C869 2/20 0.43
TP53 P04637 1/20 0.42
NFKB1 P19838 1/20 0.42
NFKB2 Q00653 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
SCHEMBL9224152 0.99 MAPT (0.49) MAPTTHRALMNATSHRSMN1; SMN2
SCHEMBL9226456 0.99 MAPT (0.49) MAPTTHRALMNATSHRSMN1; SMN2
SCHEMBL9224554 0.99 MAPT (0.49) MAPTTHRALMNATSHRSMN1; SMN2
SCHEMBL9223277 0.99 MAPT (0.49) MAPTTHRALMNATSHRSMN1; SMN2
SCHEMBL9217745 0.99 MAPT (0.49) MAPTTHRALMNATSHRSMN1; SMN2
SCHEMBL9227266 0.99 MAPT (0.49) MAPTTHRALMNATSHRSMN1; SMN2
SCHEMBL9219576 0.99 MAPT (0.49) MAPTTHRALMNATSHRSMN1; SMN2
SCHEMBL9226509 0.99 MAPT (0.49) MAPTTHRALMNATSHRSMN1; SMN2
SCHEMBL9225791 0.99 MAPT (0.49) MAPTTHRALMNATSHRSMN1; SMN2
SCHEMBL9227047 0.99 MAPT (0.49) MAPTTHRALMNATSHRSMN1; 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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0332409-B1 Novel substituted naphthalene compounds and liquid crystal compositions containing same MITSUI PETROCHEMICAL IND (JP) 1995-05-24 EP disclosed
US-5053164-A For high speed switching MITSUI PETROCHEMICAL INDUSTRIES, LTD. (JP) 1991-10-01 US disclosed
US-4943651-A Novel substitued naphthalene compounds and liquid crystal compositions containing same MITSUI PETROCHEMICAL INDUSTRIES, LTD. (JP) 1990-07-24 US disclosed