SCHEMBL28433145

SCHEMBL28433145

CCC(C)CCCCCc1ccccc1O

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MGLL Q99685 1/20 0.47
MPO P05164 2/20 0.44
HTR1A P08908 1/20 0.44
SLC6A4 P31645 1/20 0.44
TAAR1 Q96RJ0 1/20 0.43
BID P55957 3/20 0.42
MCL1 Q07820 3/20 0.42
BCL2L1 Q07817 2/20 0.42
BAK1 Q16611 2/20 0.42
KAT8 Q9H7Z6 2/20 0.42
PPARG P37231 1/20 0.42
PPARA Q07869 1/20 0.42
EP300 Q09472 1/20 0.42
KAT2A Q92830 1/20 0.42
KAT2B Q92831 1/20 0.42
KAT5 Q92993 1/20 0.42
SAE1 Q9UBE0 1/20 0.42
TSHR P16473 2/20 0.42
LIPG Q9Y5X9 1/20 0.41
MEN1 O00255 1/20 0.40

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
SCHEMBL27519415 0.98 MGLL (0.45) MGLLMPOHTR1ASLC6A4TAAR1
SCHEMBL14271047 0.86 HTR1A (0.49) MPOHTR1ASLC6A4TAAR1TSHR
SCHEMBL11582743 0.86 HTR1A (0.49) MPOHTR1ASLC6A4TAAR1TSHR
SCHEMBL27833278 0.85 BID (0.48) MGLLMPOHTR1ASLC6A4TAAR1
SCHEMBL18379 0.84 MGLL (0.51) MGLLMPOHTR1ASLC6A4TAAR1
SCHEMBL30548385 0.84 MGLL (0.51) MGLLMPOHTR1ASLC6A4TAAR1
SCHEMBL223105 0.84 MGLL (0.51) MGLLMPOHTR1ASLC6A4TAAR1
SCHEMBL11726604 0.84 MGLL (0.51) MGLLMPOHTR1ASLC6A4TAAR1
SCHEMBL28732506 0.84 MGLL (0.51) MGLLMPOHTR1ASLC6A4TAAR1
SCHEMBL29628005 0.84 MGLL (0.51) MGLLMPOHTR1ASLC6A4TAAR1

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
CN-108929396-B Rare earth metal catalyst system and method for preparing high cis conjugated diene polymer 北京化工大学 2020-07-28 CN claimed