SCHEMBL11051920

SCHEMBL11051920

CCCOCCOC(=O)c1ccc(C(=O)O)cc1

nearest known ligand 0.61

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ LMNA P02545 3/20 0.61
▸ ALDH1A1 P00352 5/20 0.59
▸ TSHR P16473 4/20 0.59
▸ ESR1 P03372 2/20 0.59
▸ TDP1 Q9NUW8 2/20 0.59
▸ CHRM1 P11229 1/20 0.59
▸ SLC6A2 P23975 1/20 0.59
▸ KDR P35968 1/20 0.59
▸ MAPT P10636 3/20 0.53
▸ CYP3A4 P08684 2/20 0.52
▸ ABCB11 O95342 1/20 0.52
▸ ADRA2B P18089 1/20 0.52
▸ OPRD1 P41143 1/20 0.52
▸ SCN5A Q14524 1/20 0.52
▸ CYP1A2 P05177 2/20 0.51
▸ CYP2C19 P33261 2/20 0.51
▸ SMN1; SMN2 Q16637 2/20 0.51
▸ CYP2D6 P10635 1/20 0.51
▸ MAPK1 P28482 1/20 0.51
▸ NR1H2 P55055 1/20 0.51

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
SCHEMBL9276196 0.91 TDP1 (0.53) LMNAALDH1A1TSHRESR1TDP1
SCHEMBL17798293 0.90 RARB (0.64) LMNAALDH1A1TSHRESR1TDP1
SCHEMBL9054152 0.90 RARB (0.64) LMNAALDH1A1TSHRESR1TDP1
SCHEMBL17824453 0.90 MAPT (0.53) LMNAALDH1A1TSHRESR1TDP1
SCHEMBL1995221 0.89 LMNA (0.75) LMNAALDH1A1TSHRESR1TDP1
Terephthalic Acid SCHEMBL28622229 0.89 LMNA (0.75) LMNAALDH1A1TSHRESR1TDP1
SCHEMBL17824365 0.88 MAPT (0.54) LMNAALDH1A1TSHRESR1TDP1
SCHEMBL22832434 0.88 LMNA (0.79) LMNAALDH1A1TSHRESR1TDP1
SCHEMBL22832552 0.88 LMNA (0.79) LMNAALDH1A1TSHRESR1TDP1
SCHEMBL1919741 0.88 LMNA (0.79) LMNAALDH1A1TSHRESR1TDP1

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-4430408-A IN BINDER WITH CARBON BLACK SURFACE TREATMENT MINNESOTA MINING AND MANUFACTURING COMPANY (US) 1984-02-07 — — US claimed
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