SCHEMBL7412705

SCHEMBL7412705

Cc1ccc2[nH]c3c(c2c1)CC(O)CC3

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
L3MBTL1 Q9Y468 1/20 0.51
KMT2A Q03164 2/20 0.50
BAZ2B Q9UIF8 1/20 0.50
RB1 P06400 4/20 0.49
HTR1B P28222 3/20 0.48
HTR1D P28221 2/20 0.48
MEN1 O00255 1/20 0.47
ACHE P22303 3/20 0.47
GRIN1 Q05586 3/20 0.47
GRIN2A Q12879 3/20 0.47
GRIN2D O15399 2/20 0.47
GRIN3B O60391 2/20 0.47
GRIN2B Q13224 2/20 0.47
GRIN2C Q14957 2/20 0.47
GRIN3A Q8TCU5 2/20 0.47
SIRT1 Q96EB6 2/20 0.47
HTR1A P08908 1/20 0.46
LMNA P02545 1/20 0.46
PABPC1 P11940 1/20 0.46
ATM Q13315 1/20 0.46

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
SCHEMBL7412246 0.86 HTR1B (0.53) KMT2ABAZ2BRB1HTR1BHTR1D
SCHEMBL11576749 0.84 KMT2A (0.65) L3MBTL1KMT2ABAZ2BRB1HTR1B
SCHEMBL7403681 0.83 HTR1F (0.56) L3MBTL1KMT2ABAZ2BRB1HTR1B
SCHEMBL7409510 0.82 SIRT1 (0.55) KMT2ABAZ2BHTR1BHTR1DMEN1
SCHEMBL9334201 0.82 HTR1B (0.69) L3MBTL1KMT2ABAZ2BRB1HTR1B
SCHEMBL14040265 0.82 RB1 (0.48) L3MBTL1KMT2ABAZ2BRB1HTR1B
SCHEMBL4288837 0.82 HTR1D (0.72) KMT2ABAZ2BHTR1BHTR1DMEN1
SCHEMBL11845531 0.81 SIRT1 (0.55) L3MBTL1KMT2ABAZ2BHTR1BHTR1D
SCHEMBL7029893 0.79 AR (0.46) L3MBTL1KMT2AHTR1BHTR1DMEN1
SCHEMBL7412220 0.79 KMT2A (0.60) KMT2AHTR1BHTR1DMEN1LMNA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-4257952-A PSYCHOTROPIC DRUGS, ANALGESICS, ANTIHISTAMINES STERLING DRUG INC. (US) 1981-03-24 US disclosed
US-4172834-A ANALGESICS, ANTIHISTAMINES AND PSYCHOTROPIC AGENTS STERLING DRUG INC. (US) 1979-10-30 US disclosed
US-4062864-A ANALGESIC, PSYCHOTROPIC, ANTIHISTAMINE STERLING DRUG INC. (US) 1977-12-13 US disclosed
US-3959309-A ANALGESICS, PSYCHOTROPIC, ANTIHISTAMINE STERLING DRUG INC. (US) 1976-05-25 US disclosed