SCHEMBL11229328

SCHEMBL11229328

CCCCC(Oc1ccccc1O)Oc1ccccc1O

nearest known ligand 0.44

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
TSHR P16473 4/20 0.44
CA2 P00918 2/20 0.44
CA1 P00915 1/20 0.44
TP53 P04637 1/20 0.44
LMNA P02545 2/20 0.42
GAA P10253 2/20 0.41
JAK2 O60674 1/20 0.41
MAPT P10636 1/20 0.41
KDM4E B2RXH2 1/20 0.37
MEN1 O00255 1/20 0.37
RECQL P46063 1/20 0.37
KMT2A Q03164 1/20 0.37
CYP1A2 P05177 1/20 0.37
CYP2C9 P11712 1/20 0.37
CYP2C19 P33261 1/20 0.37
ALDH1A1 P00352 1/20 0.36
CYP3A4 P08684 1/20 0.36
ALOX5 P09917 1/20 0.36
PTGS2 P35354 1/20 0.36

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
SCHEMBL6055618 0.84 NR5A1 (0.45) TSHRTP53LMNAMAPTKDM4E
SCHEMBL1419943 0.81 TSHR (0.40) TSHRCA2CA1TP53LMNA
SCHEMBL7596823 0.81 TSHR (0.50) TSHRCA2CA1TP53LMNA
SCHEMBL1836371 0.80 SLC6A2 (0.46) TSHRTP53LMNAMEN1KMT2A
SCHEMBL11377841 0.80 CA12 (0.48) TSHRCA2CA1TP53MEN1
SCHEMBL27980864 0.79 ALDH1A1 (0.44) TSHRCA2CA1TP53LMNA
SCHEMBL7559302 0.79 TSHR (0.52) TSHRCA2CA1TP53LMNA
SCHEMBL27752147 0.79 TSHR (0.44) TSHRCA2CA1TP53LMNA
SCHEMBL9799537 0.78 ALDH1A1 (0.47) TSHRCA2CA1TP53MAPT
SCHEMBL504371 0.78 ALDH1A1 (0.47) TSHRCA2CA1TP53MAPT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-4320144-A Fungicidal use of diphenyl esters of alkylenes GAF CORPORATION (US) 1982-03-16 US disclosed