SCHEMBL8533917

SCHEMBL8533917

CCCCCCCCCCCCc1ccc(-c2ccc(C(=O)O)cc2)cc1

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
RARB P10826 15/20 1.00
RARA P10276 2/20 1.00
MEN1 O00255 1/20 1.00
ALDH1A1 P00352 1/20 1.00
MAPT P10636 1/20 1.00
MTOR P42345 1/20 1.00
KMT2A Q03164 1/20 1.00
NPC1 O15118 1/20 0.67
NFKB1 P19838 1/20 0.67
RAB9A P51151 1/20 0.67
NFKB2 Q00653 1/20 0.67
RELA Q04206 1/20 0.67
SMN1; SMN2 Q16637 1/20 0.67
RARG P13631 1/20 0.64
THRA P10827 1/20 0.61
THRB P10828 1/20 0.61
PLA2G1B P04054 1/20 0.60
ATG4B Q9Y4P1 1/20 0.60

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
SCHEMBL2348201 1.00 RARB (1.00) RARBRARAMEN1ALDH1A1MAPT
SCHEMBL11113720 1.00 RARB (1.00) RARBRARAMEN1ALDH1A1MAPT
SCHEMBL2402567 1.00 RARB (1.00) RARBRARAMEN1ALDH1A1MAPT
SCHEMBL7542464 1.00 RARB (1.00) RARBRARAMEN1ALDH1A1MAPT
SCHEMBL8531633 1.00 RARB (1.00) RARBRARAMEN1ALDH1A1MAPT
SCHEMBL23484727 1.00 RARB (1.00) RARBRARAMEN1ALDH1A1MAPT
SCHEMBL4174144 1.00 RARB (1.00) RARBRARAMEN1ALDH1A1MAPT
SCHEMBL3088908 1.00 RARB (1.00) RARBRARAMEN1ALDH1A1MAPT
SCHEMBL8536621 1.00 RARB (1.00) RARBRARAMEN1ALDH1A1MAPT
Hydrochloric Acid SCHEMBL6024255 0.98 RARB (0.97) RARBRARAMEN1ALDH1A1MAPT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
JP-5085988-A None JP disclosed
US-5776365-A COMPOUNDS WITH OPTICAL ACTIVITY AND SWITCHES FOR CONTRAST MITSUI CHEMICALS, INC. (JP) 1998-07-07 US disclosed
US-5725798-A CARBOXYLIC ESTERS FOR ELECTRICAL APPARATUS, SWITCHES AND CONTRAST MITSUI PETROCHEMICAL INDUSTRIES, LTD. (JP) 1998-03-10 US disclosed
EP-0549347-B1 Novel carboxylate compounds, liquid crystal materials, liquid crystal compositions and liquid crystal elements MITSUI PETROCHEMICAL IND (JP) 1997-10-29 EP disclosed
EP-0549347-A1 Novel carboxylate compounds, liquid crystal materials, liquid crystal compositions and liquid crystal elements MITSUI PETROCHEMICAL INDUSTRIES, LTD. (JP) 1993-06-30 EP disclosed
JP-H0585988-A OPTICALLY ACTIVE COMPOUND AND DISPLAY ELEMENT MITSUBISHI PETROCHEM CO LTD 1993-04-06 JP disclosed
EP-0188222-B1 NOVEL LIQUID CRISTALLINE COMPOUNDS HAVING SUBSTITUENTS DAINIPPON INK AND CHEMICALS, INC. (JP) 1992-04-29 EP disclosed
US-4943386-A FERROELECTRIC, GOOD RESPONSE AND MEMORY DAINIPPON INK & CHEMICALS, INC. (JP) 1990-07-24 US disclosed
US-4828754-A TILT-TYPE CHIRAL SMECTIC PHASE DAINIPPON INK & CHEMICALS, INC. (JP) 1989-05-09 US disclosed
EP-0188222-A2 Novel liquid cristalline compounds having substituents DAINIPPON INK AND CHEMICALS, INC. (JP) 1986-07-23 EP disclosed