SCHEMBL23780943

SCHEMBL23780943

CC(C)(C)c1ccc2c(c1)-c1cc(C(C)(C)C)ccc1C2C(Cc1ccc(CC(C2C=CC=C2)C2c3ccc(C(C)(C)C)cc3-c3cc(C(C)(C)C)ccc32)cc1)C1C=CC=C1

nearest known ligand 0.35

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
TP53 P04637 1/20 0.35
TSHR P16473 1/20 0.35
NPC1 O15118 1/20 0.33
ALDH1A1 P00352 1/20 0.33
PLA2G1B P04054 1/20 0.33
NFKB1 P19838 1/20 0.33
CASP3 P42574 1/20 0.33
RAB9A P51151 1/20 0.33
NFKB2 Q00653 1/20 0.33
RELA Q04206 1/20 0.33
SENP8 Q96LD8 1/20 0.33
SENP7 Q9BQF6 1/20 0.33
SENP6 Q9GZR1 1/20 0.33
L3MBTL1 Q9Y468 1/20 0.33
ATG4B Q9Y4P1 1/20 0.33
CYP1A2 P05177 1/20 0.33
CYP2C19 P33261 1/20 0.33
EBP Q15125 1/20 0.31
SIGMAR1 Q99720 1/20 0.31

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
SCHEMBL23780934 0.77 ALDH1A1 (0.37) TSHRNPC1ALDH1A1PLA2G1BNFKB1
SCHEMBL27838286 0.70 ALDH1A1 (0.44) TSHRNPC1ALDH1A1PLA2G1BNFKB1
SCHEMBL27544369 0.65 ALDH1A1 (0.36) NPC1ALDH1A1PLA2G1BNFKB1CASP3
SCHEMBL6471242 0.65 NPC1 (0.32) NPC1ALDH1A1PLA2G1BNFKB1CASP3
SCHEMBL18261205 0.64 ALDH1A1 (0.44) TSHRNPC1ALDH1A1PLA2G1BNFKB1
SCHEMBL945915 0.64 ALDH1A1 (0.44) TSHRNPC1ALDH1A1PLA2G1BNFKB1
SCHEMBL23780937 0.64 ALDH1A1 (0.35) NPC1ALDH1A1PLA2G1BNFKB1CASP3
SCHEMBL20994441 0.64 ALDH1A1 (0.35) NPC1ALDH1A1PLA2G1BNFKB1CASP3
SCHEMBL2873175 0.64 NPC1 (0.46) TSHRNPC1ALDH1A1PLA2G1BNFKB1
SCHEMBL4652193 0.63 ALDH1A1 (0.38) NPC1ALDH1A1PLA2G1BNFKB1CASP3

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20210317238-A1 Bis(Metallocene) Compounds and Catalyst Compositions Employing Such Compounds CENTRE NATIONAL DE LA RECHERCHE SCIENTIFIQUE (CNRS) (FR) 2021-10-14 US disclosed
US-20210284767-A1 Process for Preparing Polyethylene TOTAL RESEARCH & TECHNOLOGY FELUY (BE) 2021-09-16 US disclosed
US-20210277155-A1 Process for Preparing Polypropylene TOTAL RESEARCH & TECHNOLOGY FELUY (BE) 2021-09-09 US disclosed