SCHEMBL7952453

SCHEMBL7952453

COC=Cc1ccc(OC(C)(C)C)cc1

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 3/20 0.41
CYP3A4 P08684 2/20 0.41
LMNA P02545 2/20 0.41
TP53 P04637 1/20 0.41
TSHR P16473 1/20 0.41
ALDH1A1 P00352 1/20 0.41
RELA Q04206 2/20 0.39
TRPA1 O75762 1/20 0.39
CYP1A2 P05177 3/20 0.38
CYP1A1 P04798 3/20 0.38
CYP1B1 Q16678 3/20 0.38
TUBB1 Q9H4B7 3/20 0.38
ESR1 P03372 2/20 0.38
PTGS2 P35354 2/20 0.38
TUBB4A P04350 2/20 0.38
TUBB P07437 2/20 0.38
TUBA3C P0DPH7 2/20 0.38
AHR P35869 2/20 0.38
TUBA1B P68363 2/20 0.38
TUBA4A P68366 2/20 0.38

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
SCHEMBL8428819 0.82 CYP2D6 (0.43) KDM4ECYP3A4LMNATP53TSHR
SCHEMBL8428816 0.82 CYP2D6 (0.43) KDM4ECYP3A4LMNATP53TSHR
SCHEMBL7606991 0.79 LMNA (0.59) KDM4ECYP3A4LMNATP53TSHR
SCHEMBL8741689 0.79 KDM4E (0.46) KDM4ECYP3A4LMNATP53TSHR
SCHEMBL28662974 0.79 KDM4E (0.64) KDM4ECYP3A4LMNATP53TSHR
SCHEMBL7868088 0.79 KDM4E (0.64) KDM4ECYP3A4LMNATP53TSHR
SCHEMBL7541661 0.78 TRPA1 (0.61) KDM4ECYP3A4LMNATP53ALDH1A1
SCHEMBL17404866 0.78 KDM4E (0.38) KDM4ECYP3A4LMNATP53TSHR
SCHEMBL7541659 0.78 TRPA1 (0.61) KDM4ECYP3A4LMNATP53ALDH1A1
SCHEMBL7711579 0.76 SLC6A2 (0.37) KDM4ECYP3A4LMNATP53TSHR

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-6258514-B1 Top surface imaging technique using a topcoat delivery system LSI LOGIC CORPORATION 2001-07-10 US disclosed