SCHEMBL7753944

SCHEMBL7753944

CCCCCCCCCC(=O)Oc1ccc(C(=O)OCCCCCCC)c(F)c1

nearest known ligand 0.51

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
TSHR P16473 3/20 0.51
ALDH1A1 P00352 2/20 0.51
LMNA P02545 1/20 0.51
TP53 P04637 1/20 0.49
CYP3A4 P08684 1/20 0.49
MAPK1 P28482 1/20 0.49
TDP1 Q9NUW8 1/20 0.47
L3MBTL1 Q9Y468 1/20 0.47
KDM4E B2RXH2 1/20 0.46
POLB P06746 1/20 0.46
HSD17B10 Q99714 1/20 0.46
ESR1 P03372 1/20 0.45
AKR1C4 P17516 1/20 0.45
AKR1C3 P42330 1/20 0.45
AKR1C2 P52895 1/20 0.45
AKR1C1 Q04828 1/20 0.45
KMT2A Q03164 1/20 0.44
SMN1; SMN2 Q16637 1/20 0.44

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
SCHEMBL8201150 0.93 MAPT (0.51) TSHRALDH1A1LMNACYP3A4KMT2A
SCHEMBL8190500 0.93 MAPT (0.51) TSHRALDH1A1LMNACYP3A4KMT2A
SCHEMBL8201026 0.93 MAPT (0.51) TSHRALDH1A1LMNACYP3A4KMT2A
SCHEMBL8190514 0.91 MAPT (0.51) TSHRALDH1A1LMNACYP3A4MAPK1
SCHEMBL8216532 0.91 MAPT (0.51) TSHRALDH1A1LMNACYP3A4MAPK1
SCHEMBL8200469 0.89 KMT2A (0.46) ALDH1A1LMNACYP3A4ESR1KMT2A
SCHEMBL8190501 0.88 RARB (0.47) TSHRALDH1A1LMNATP53CYP3A4
SCHEMBL8201152 0.88 RARB (0.47) TSHRALDH1A1LMNATP53CYP3A4
SCHEMBL8201029 0.88 RARB (0.47) TSHRALDH1A1LMNATP53CYP3A4
SCHEMBL8189325 0.85 RARB (0.53) ALDH1A1MAPK1TDP1KDM4EKMT2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
JP-9003009-A None JP disclosed
EP-0738704-B1 Phenyl ester compound and liquid crystal composition containing the same MITSUBISHI GAS CHEMICAL CO (JP) 2001-02-21 EP disclosed
US-5716544-A EXHIBITING RAPID RESPONSE AT LOW TEMPERATURE, LOW THRESHOLD VOLTAGE MITSUBISHI GAS CHEMICAL COMPANY, INC. (JP) 1998-02-10 US disclosed
JP-H093009-A PHENYL ESTER COMPOUND AND ANTIFERROELECTRIC LIQUID CRYSTAL COMPOSITION MITSUBISHI GAS CHEM CO INC 1997-01-07 JP disclosed
EP-0738704-A2 Phenyl ester compound and liquid crystal composition containing the same MITSUBISHI GAS CHEMICAL COMPANY, INC. (JP) 1996-10-23 EP disclosed