SCHEMBL5568864

SCHEMBL5568864

C=Cc1ccc(C(C)(C)C)cc1.CC=Cc1ccccc1

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 4/20 0.48
TSHR P16473 2/20 0.48
TRPV1 Q8NER1 2/20 0.44
CYP1A2 P05177 1/20 0.43
NR1H2 P55055 1/20 0.38
NR1H3 Q13133 1/20 0.38
ESRRG P62508 1/20 0.38
CYP2C19 P33261 1/20 0.38
POLB P06746 1/20 0.36
HTT P42858 1/20 0.36
LMNA P02545 2/20 0.36
NPC1 O15118 2/20 0.36
RAB9A P51151 2/20 0.36
SMN1; SMN2 Q16637 2/20 0.36
KDM4E B2RXH2 2/20 0.36
TP53 P04637 1/20 0.36
CYP3A4 P08684 1/20 0.36
TNIK Q9UKE5 1/20 0.36
MEN1 O00255 2/20 0.35
MAPT P10636 2/20 0.35

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
Styrene SCHEMBL7512832 0.89 ALDH1A1 (0.61) ALDH1A1TSHRTRPV1CYP1A2NR1H2
Styrene SCHEMBL28409227 0.85 ALDH1A1 (0.67) ALDH1A1TSHRLMNAKDM4ETP53
Styrene SCHEMBL499427 0.85 ALDH1A1 (0.67) ALDH1A1TSHRLMNAKDM4ETP53
SCHEMBL6876844 0.83 CYP1A2 (0.53) ALDH1A1TSHRTRPV1CYP1A2NR1H2
Styrene SCHEMBL11264136 0.83 ALDH1A1 (0.64) ALDH1A1TSHRLMNAKDM4ETP53
SCHEMBL6884409 0.83 CYP1A2 (0.53) ALDH1A1TSHRTRPV1CYP1A2NR1H2
SCHEMBL868821 0.83 CYP1A2 (0.57) ALDH1A1TSHRTRPV1CYP1A2NR1H2
SCHEMBL868822 0.83 CYP1A2 (0.57) ALDH1A1TSHRTRPV1CYP1A2NR1H2
Styrene SCHEMBL8161392 0.81 ALDH1A1 (0.61) ALDH1A1TSHRLMNAKDM4ETP53
Benzene SCHEMBL8586542 0.81 ALDH1A1 (0.48) ALDH1A1TSHRTRPV1CYP1A2ESRRG

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1749032-A1 ALKOXYAMINES CONTAINING A RADICALLY POLYMERIZABLE GROUP Ciba Geigy Specialty Chemicals Holding Inc. (CH) 2007-02-07 EP disclosed
EP-1615962-A2 COMB COPOLYMERS WITH DEFINED SIDE CHAINS AND PROCESS FOR THEIR MANUFACTURE Ciba SC Holding AG (CH) 2006-01-18 EP disclosed
WO-2005118651-A1 ALKOXYAMINES CONTAINING A RADICALLY POLYMERIZABLE GROUP CIBA SPECIALTY CHEMICALS HOLDING INC. (CH) 2005-12-15 WO disclosed
WO-2004069887-A2 COMB COPOLYMERS WITH DEFINED SIDE CHAINS AND PROCESS FOR THEIR MANUFACTURE CIBA SPECIALTY CHEMICALS HOLDING INC. (CH) 2004-08-19 WO disclosed
US-4288569-A CARBOXYL POLYMER, TRIGLYCIDYLTRIAZOLIDENEDIONE BAYER AKTIENGESELLSCHAFT (DE) 1981-09-08 US disclosed