SCHEMBL9318017

SCHEMBL9318017

CC(C)(C)c1cccc(O)c1C(C)(C)C.CCCCc1ccccc1O

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TSHR P16473 2/20 0.44
ALDH1A1 P00352 1/20 0.44
TDP1 Q9NUW8 1/20 0.44
HTR1A P08908 1/20 0.43
TYR P14679 1/20 0.41
BID P55957 3/20 0.41
MCL1 Q07820 3/20 0.41
BCL2L1 Q07817 2/20 0.41
BAK1 Q16611 2/20 0.41
KAT8 Q9H7Z6 2/20 0.41
PPARG P37231 1/20 0.41
PPARA Q07869 1/20 0.41
EP300 Q09472 1/20 0.41
KAT2A Q92830 1/20 0.41
KAT2B Q92831 1/20 0.41
KAT5 Q92993 1/20 0.41
SAE1 Q9UBE0 1/20 0.41
MPO P05164 1/20 0.40
SLC6A4 P31645 1/20 0.40
TAAR1 Q96RJ0 1/20 0.39

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
SCHEMBL7526622 0.88 CA2 (0.53) TSHRALDH1A1TDP1HTR1ATYR
SCHEMBL31243576 0.84 BID (0.47) TYRBIDMCL1BCL2L1BAK1
SCHEMBL6706198 0.83 TSHR (0.58) TSHRALDH1A1TDP1HTR1ATYR
SCHEMBL10984997 0.82 TSHR (0.56) TSHRALDH1A1TDP1HTR1ATYR
SCHEMBL5707464 0.82 TSHR (0.56) TSHRALDH1A1TDP1HTR1ATYR
Ethyne SCHEMBL4194758 0.81 HTR1A (0.56) TSHRTDP1HTR1ATYRBID
Propane SCHEMBL2457613 0.81 ALDH1A1 (0.56) TSHRALDH1A1TDP1TYRCYP3A4
SCHEMBL20232 0.80 HTR1A (0.60) TSHRTDP1HTR1ATYRBID
SCHEMBL29450060 0.80 HTR1A (0.60) TSHRTDP1HTR1ATYRBID
SCHEMBL9319489 0.80 HTR1A (0.60) TSHRTDP1HTR1ATYRBID

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-H1388-H Metathesis polymerizable olefin monomer, procatalyst, procatalyst activator, and at least one of lewis acid catlayst , anionic catalyst, free radical initiator and hydrosilation catalyst HERCULES INCORPORATED (US) 1994-12-06 US disclosed