SCHEMBL10844634

SCHEMBL10844634

CCCCCCCCCCCCOC(=O)CC(C)(C)c1cc(OC)c(C(C)(C)CC(=O)OCCCCCCCCCCCC)cc1O

nearest known ligand 0.52

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
LMNA P02545 1/20 0.42
TP53 P04637 1/20 0.42
CYP3A4 P08684 1/20 0.42
HPGD P15428 1/20 0.42
ALOX15 P16050 1/20 0.42
ESR1 P03372 1/20 0.42
AKR1C4 P17516 1/20 0.42
AKR1C3 P42330 1/20 0.42
AKR1C2 P52895 1/20 0.42
AKR1C1 Q04828 1/20 0.42
TLR2 O60603 1/20 0.41
TLR1 Q15399 1/20 0.41
TLR6 Q9Y2C9 1/20 0.41
NAAA Q02083 1/20 0.41
CNR1 P21554 1/20 0.41
CNR2 P34972 1/20 0.41
HDAC6 Q9UBN7 1/20 0.40

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
SCHEMBL10845056 1.00 LMNA (0.42) LMNATP53CYP3A4HPGDALOX15
SCHEMBL10845438 0.95 LMNA (0.50) LMNATP53CYP3A4HPGDALOX15
SCHEMBL10846775 0.95 LMNA (0.50) LMNATP53CYP3A4HPGDALOX15
SCHEMBL12434159 0.94 NAAA (0.46) ESR1AKR1C4AKR1C3AKR1C2AKR1C1
SCHEMBL10843636 0.92 CNR2 (0.41) TLR2TLR1TLR6CNR1CNR2
SCHEMBL10847141 0.92 CNR2 (0.41) TLR2TLR1TLR6CNR1CNR2
SCHEMBL10571624 0.91 ESR1 (0.49) ESR1AKR1C4AKR1C3AKR1C2AKR1C1
SCHEMBL10572667 0.91 ESR1 (0.49) ESR1AKR1C4AKR1C3AKR1C2AKR1C1
SCHEMBL12581593 0.89 NAAA (0.42) NAAA
SCHEMBL10847692 0.87 CNR2 (0.44) TLR2TLR1TLR6CNR1CNR2

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
US-4631252-A PHOTOGRAPHIC STABILIZERS CIBA-GEIGY AG (CH) 1986-12-23 US disclosed
US-4616082-A PHOTOGRAPHIC STABILIZERS CIBA-GEIGY AG (CH) 1986-10-07 US disclosed
EP-0098241-B1 HYDROQUINONE ETHERS AND A PROCESS FOR PREPARING THEM CIBA-GEIGY AG (CH) 1985-10-02 EP disclosed