SCHEMBL9627701

SCHEMBL9627701

CCCCCCCCCCCCOc1ccc(-c2ccc(C(=O)O)cc2)cc1F

nearest known ligand 0.74

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
PTPN11 Q06124 4/20 0.74
RARB P10826 5/20 0.64
THRA P10827 1/20 0.58
THRB P10828 1/20 0.58
ALDH1A1 P00352 1/20 0.57
HPGD P15428 1/20 0.57
TP53 P04637 1/20 0.57
TSHR P16473 1/20 0.57
PTPN1 P18031 1/20 0.56
PTPN6 P29350 1/20 0.56
PLA2G2D Q9UNK4 1/20 0.56
PLA2G4B P0C869 1/20 0.56

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
SCHEMBL9387467 1.00 PTPN11 (0.74) PTPN11RARBTHRATHRBALDH1A1
SCHEMBL15284776 1.00 PTPN11 (0.74) PTPN11RARBTHRATHRBALDH1A1
SCHEMBL9626934 1.00 PTPN11 (0.74) PTPN11RARBTHRATHRBALDH1A1
SCHEMBL9627343 1.00 PTPN11 (0.74) PTPN11RARBTHRATHRBALDH1A1
SCHEMBL8942999 1.00 PTPN11 (0.74) PTPN11RARBTHRATHRBALDH1A1
SCHEMBL9627749 1.00 PTPN11 (0.74) PTPN11RARBTHRATHRBALDH1A1
Hydrochloric Acid SCHEMBL9650980 0.99 PTPN11 (0.73) PTPN11RARBTHRATHRBALDH1A1
Hydrochloric Acid SCHEMBL9440590 0.99 PTPN11 (0.73) PTPN11RARBTHRATHRBALDH1A1
SCHEMBL9437150 0.90 THRA (0.68) PTPN11RARBTHRATHRBALDH1A1
SCHEMBL15731804 0.90 THRA (0.68) PTPN11RARBTHRATHRBALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0188222-B1 NOVEL LIQUID CRISTALLINE COMPOUNDS HAVING SUBSTITUENTS DAINIPPON INK AND CHEMICALS, INC. (JP) 1992-04-29 EP disclosed
EP-0231853-B1 OPTICALLY ACTIVE CARBOXYLIC ACID DERIVATIVES AND LIQUID CRYSTALLINE COMPOSITIONS COMPRISING THEM DAINIPPON INK AND CHEMICALS, INC. (JP) 1990-11-22 EP disclosed
US-4943386-A FERROELECTRIC, GOOD RESPONSE AND MEMORY DAINIPPON INK & CHEMICALS, INC. (JP) 1990-07-24 US disclosed
US-4914224-A HIGH-SPEED RESPONSE, WIDE TEMPERATURE RANGE, CHIRAL SMECTIC PHASES DAINIPPON INK AND CHEMICALS, INC. (JP) 1990-04-03 US disclosed
US-4911862-A Aromatic carboxylic ester DAINIPPON INK AND CHEMICALS, INC. (JP) 1990-03-27 US disclosed
US-4828754-A TILT-TYPE CHIRAL SMECTIC PHASE DAINIPPON INK & CHEMICALS, INC. (JP) 1989-05-09 US disclosed
EP-0231853-A2 Optically active carboxylic acid derivatives and liquid crystalline compositions comprising them DAINIPPON INK AND CHEMICALS, INC. (JP) 1987-08-12 EP disclosed
EP-0188222-A2 Novel liquid cristalline compounds having substituents DAINIPPON INK AND CHEMICALS, INC. (JP) 1986-07-23 EP disclosed