SCHEMBL4428392

SCHEMBL4428392

CC(C=O)Cc1ccc(C(C)(C)C)cc1-c1ccccc1

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ TP53 P04637 1/20 0.51
▸ TSHR P16473 1/20 0.51
▸ NPC1 O15118 2/20 0.43
▸ CASP3 P42574 2/20 0.43
▸ RAB9A P51151 2/20 0.43
▸ SENP8 Q96LD8 2/20 0.43
▸ SENP7 Q9BQF6 2/20 0.43
▸ SENP6 Q9GZR1 2/20 0.43
▸ ALDH1A1 P00352 1/20 0.43
▸ PLA2G1B P04054 1/20 0.43
▸ NFKB1 P19838 1/20 0.43
▸ NFKB2 Q00653 1/20 0.43
▸ RELA Q04206 1/20 0.43
▸ L3MBTL1 Q9Y468 1/20 0.43
▸ ATG4B Q9Y4P1 1/20 0.43
▸ ELANE P08246 1/20 0.40
▸ CYP1A2 P05177 1/20 0.39
▸ CYP2C19 P33261 1/20 0.39
▸ ATM Q13315 2/20 0.36
▸ LMNA P02545 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
SCHEMBL4428385 0.83 TP53 (0.58) TP53TSHRNPC1CASP3RAB9A
SCHEMBL8849716 0.79 TSHR (0.60) TP53TSHRNPC1CASP3RAB9A
SCHEMBL11464541 0.79 KMT2A (0.56) TP53TSHRELANEKMT2ACYP2D6
SCHEMBL28037910 0.75 TP53 (0.55) TP53TSHRNPC1CASP3RAB9A
SCHEMBL28823390 0.75 TP53 (0.55) TP53TSHRNPC1CASP3RAB9A
SCHEMBL8011207 0.75 TSHR (0.58) TP53TSHRNPC1CASP3RAB9A
Benzene SCHEMBL28938992 0.72 TP53 (0.93) TP53TSHRALDH1A1KMT2A
SCHEMBL3371017 0.71 NPC1 (0.47) NPC1CASP3RAB9ASENP8SENP7
SCHEMBL779665 0.70 TP53 (0.65) TP53TSHRCYP1A2CYP2C19LMNA
SCHEMBL30600480 0.70 TP53 (0.65) TP53TSHRCYP1A2CYP2C19LMNA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2120847-A2 STABLE PEROXIDE CONTAINING PERSONAL CARE COMPOSITIONS The Procter and Gamble Company (US) 2009-11-25 — — EP disclosed
WO-2008087609-A2 STABLE PEROXIDE CONTAINING ORAL CARE COMPOSITIONS THE PROCTER & GAMBLE COMPANY (US) 2008-07-24 — — WO disclosed
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