SCHEMBL7410585

SCHEMBL7410585

Cc1ccc2[nH]c3c(c2c1)CC(OC(=O)c1ccccc1)CC3

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 4/20 0.51
MEN1 O00255 3/20 0.51
HTR1B P28222 3/20 0.46
SIRT1 Q96EB6 2/20 0.46
BAZ2B Q9UIF8 1/20 0.46
RB1 P06400 1/20 0.45
SMN1; SMN2 Q16637 3/20 0.45
HTR1A P08908 2/20 0.45
HTR1D P28221 1/20 0.45
LMNA P02545 1/20 0.45
PABPC1 P11940 1/20 0.45
ATM Q13315 1/20 0.45
ACHE P22303 1/20 0.43
MAPT P10636 2/20 0.43
HTT P42858 1/20 0.43
NPSR1 Q6W5P4 1/20 0.43
ALDH1A1 P00352 1/20 0.43
GAA P10253 1/20 0.43
CASP1 P29466 1/20 0.43
CASP7 P55210 1/20 0.43

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
SCHEMBL7413807 0.90 KMT2A (0.46) KMT2AMEN1HTR1BSMN1; SMN2HTR1A
SCHEMBL12127595 0.88 SIRT1 (0.51) KMT2AMEN1HTR1BSIRT1BAZ2B
SCHEMBL7410108 0.87 HTR1D (0.58) KMT2AMEN1HTR1BSIRT1BAZ2B
SCHEMBL7413500 0.87 SIRT1 (0.50) KMT2AMEN1HTR1BSIRT1BAZ2B
SCHEMBL7407777 0.86 NR2E1 (0.53) KMT2AMEN1RB1MAPTALDH1A1
Hydrochloric Acid SCHEMBL7417242 0.85 NR2E1 (0.52) KMT2AMEN1MAPTALDH1A1GAA
SCHEMBL7406466 0.84 KMT2A (0.50) KMT2AMEN1HTR1BHTR1AHTR1D
SCHEMBL7031370 0.84 KMT2A (0.46) KMT2AMEN1HTR1BSMN1; SMN2HTR1A
SCHEMBL7409022 0.83 KMT2A (0.47) KMT2AMEN1HTR1BSMN1; SMN2HTR1D
SCHEMBL7411645 0.83 HTR1B (0.49) KMT2AMEN1HTR1BSIRT1BAZ2B

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