SCHEMBL29137510

SCHEMBL29137510

C[C](C)CC(c1ccccc1)c1ccccc1

nearest known ligand 0.47

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
HPGD P15428 2/20 0.47
LMNA P02545 2/20 0.47
POLB P06746 1/20 0.47
HTR2A P28223 5/20 0.46
HRH1 P35367 5/20 0.46
TAAR1 Q96RJ0 3/20 0.46
MTNR1A P48039 1/20 0.45
MTNR1B P49286 1/20 0.45
TDP1 Q9NUW8 1/20 0.44
TRPA1 O75762 1/20 0.42
SRC P12931 1/20 0.41

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
SCHEMBL109205 0.80 LMNA (0.53) HPGDLMNAPOLBMTNR1AMTNR1B
SCHEMBL11715129 0.80 HPGD (0.45) HPGDLMNAPOLBHTR2AHRH1
SCHEMBL27473927 0.80 TAAR1 (0.54) HPGDLMNAPOLBTAAR1TRPA1
SCHEMBL8835511 0.80 TAAR1 (0.54) HPGDLMNAPOLBTAAR1TRPA1
SCHEMBL10917931 0.78 HPGD (0.44) HPGDLMNAPOLBHTR2AHRH1
SCHEMBL30438111 0.78 LMNA (0.52) HPGDLMNAPOLBMTNR1AMTNR1B
SCHEMBL29067280 0.78 LMNA (0.52) HPGDLMNAPOLBMTNR1AMTNR1B
SCHEMBL6097252 0.78 LMNA (0.45) HPGDLMNA
SCHEMBL8356108 0.78 MTNR1A (0.46) HPGDLMNAPOLBHTR2AHRH1
SCHEMBL27983612 0.77 TRPA1 (0.44) HPGDLMNAMTNR1AMTNR1BTRPA1

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
CN-117142915-A Method for synthesizing organic peroxy compound by decarboxylation of carboxylic acid under catalysis of visible light 中国人民大学 2023-12-01 CN claimed
CN-117142915-A Method for synthesizing organic peroxy compound by decarboxylation of carboxylic acid under catalysis of visible light 中国人民大学 2023-12-01 CN disclosed