SCHEMBL11390679

SCHEMBL11390679

CC(C)C(C=Cc1ccccc1C(C)(C)C)C(=O)O

nearest known ligand 0.39

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
▸ ALDH1A1 P00352 2/20 0.39
▸ NFKB1 P19838 1/20 0.37
▸ MAOB P27338 6/20 0.35
▸ TNFRSF1A P19438 2/20 0.35
▸ TDP1 Q9NUW8 2/20 0.34
▸ TSHR P16473 1/20 0.34
▸ ALOX12 P18054 1/20 0.33
▸ ATM Q13315 1/20 0.33
▸ RBP4 P02753 1/20 0.33
▸ MEN1 O00255 1/20 0.32
▸ LMNA P02545 1/20 0.32
▸ MAPT P10636 1/20 0.32
▸ KMT2A Q03164 1/20 0.32
▸ SMPD2 O60906 1/20 0.32
▸ P4HB P07237 1/20 0.32
▸ ABCG2 Q9UNQ0 1/20 0.32
▸ CYP1A2 P05177 1/20 0.32
▸ CA2 P00918 1/20 0.32

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
SCHEMBL11390672 1.00 ALDH1A1 (0.39) ALDH1A1NFKB1MAOBTNFRSF1ATDP1
SCHEMBL11390669 1.00 ALDH1A1 (0.39) ALDH1A1NFKB1MAOBTNFRSF1ATDP1
SCHEMBL11318023 0.87 NFKB1 (0.54) NFKB1MAOBATMMEN1LMNA
SCHEMBL11318018 0.87 NFKB1 (0.54) NFKB1MAOBATMMEN1LMNA
SCHEMBL11318022 0.87 NFKB1 (0.54) NFKB1MAOBATMMEN1LMNA
SCHEMBL11311798 0.78 MAPT (0.45) NFKB1MAOBMEN1LMNAMAPT
SCHEMBL11316940 0.78 NFE2L2 (0.47) MAOBMAPTCYP1A2
SCHEMBL11311793 0.78 MAPT (0.45) NFKB1MAOBMEN1LMNAMAPT
SCHEMBL11316938 0.78 NFE2L2 (0.47) MAOBMAPTCYP1A2
SCHEMBL11316941 0.78 NFE2L2 (0.47) MAOBMAPTCYP1A2

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-4248875-A INSECTICIDES, MITICIDES ZOECON CORPORATION (US) 1981-02-03 — — US disclosed
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