SCHEMBL7410108

SCHEMBL7410108

COc1ccc2[nH]c3c(c2c1)CC(OC(=O)c1ccccc1)CC3

nearest known ligand 0.60

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HTR1D P28221 1/20 0.58
HTR1B P28222 1/20 0.58
KMT2A Q03164 3/20 0.52
MEN1 O00255 2/20 0.52
BAZ2B Q9UIF8 1/20 0.49
SIRT1 Q96EB6 1/20 0.49
KDR P35968 1/20 0.47
CYP1A2 P05177 2/20 0.47
CYP2D6 P10635 2/20 0.47
ALOX15 P16050 2/20 0.47
HSD17B10 Q99714 2/20 0.47
LMNA P02545 1/20 0.47
THRB P10828 1/20 0.47
TSHR P16473 1/20 0.47
NFKB1 P19838 1/20 0.47
RECQL P46063 1/20 0.47
PMP22 Q01453 1/20 0.47
ACHE P22303 1/20 0.47
MAPKAPK2 P49137 3/20 0.47
MAPKAPK5 Q8IW41 1/20 0.47

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
SCHEMBL7411645 0.92 HTR1B (0.49) HTR1DHTR1BKMT2AMEN1BAZ2B
SCHEMBL7406466 0.89 KMT2A (0.50) HTR1DHTR1BKMT2AMEN1KDR
SCHEMBL7413807 0.88 KMT2A (0.46) HTR1DHTR1BKMT2AMEN1MAPT
SCHEMBL7410585 0.87 KMT2A (0.51) HTR1DHTR1BKMT2AMEN1BAZ2B
SCHEMBL7409022 0.86 KMT2A (0.47) HTR1DHTR1BKMT2AMEN1LMNA
SCHEMBL7407819 0.86 KMT2A (0.44) HTR1DHTR1BKMT2AMEN1SIRT1
SCHEMBL12127595 0.86 SIRT1 (0.51) HTR1DHTR1BKMT2AMEN1BAZ2B
SCHEMBL7413500 0.85 SIRT1 (0.50) HTR1DHTR1BKMT2AMEN1BAZ2B
SCHEMBL7407777 0.84 NR2E1 (0.53) KMT2AMEN1CYP1A2CYP2D6ALOX15
Hydrochloric Acid SCHEMBL7417242 0.83 NR2E1 (0.52) KMT2AMEN1CYP1A2CYP2D6ALOX15

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