SCHEMBL7411899

SCHEMBL7411899

CCOC(=O)Cn1c2c(c3cc(OC)c(OC)cc31)CC(OC(=O)c1ccccc1)CC2

nearest known ligand 0.46

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
TSHR P16473 1/20 0.46
MAPK1 P28482 1/20 0.46
KDM4E B2RXH2 3/20 0.42
LMNA P02545 1/20 0.42
KMT2A Q03164 3/20 0.38
AKR1B10 O60218 1/20 0.38
AKR1B1 P15121 1/20 0.38
PTGDR2 Q9Y5Y4 5/20 0.37
RAB9A P51151 1/20 0.37
HSD17B10 Q99714 2/20 0.37
ALDH1A1 P00352 3/20 0.36
L3MBTL1 Q9Y468 1/20 0.36
MEN1 O00255 2/20 0.36
MAPT P10636 1/20 0.35
ALOX15 P16050 1/20 0.35
CACNA1B Q00975 1/20 0.35
APBA1 Q02410 1/20 0.35

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
SCHEMBL13153911 0.71 KDM4E (0.54) TSHRKDM4ELMNAKMT2APTGDR2
SCHEMBL2313013 0.71 KDM4E (0.59) TSHRKDM4ELMNAKMT2APTGDR2
SCHEMBL7410203 0.71 PTGDR2 (0.48) PTGDR2
SCHEMBL7409172 0.71 HDAC1 (0.42) LMNAPTGDR2ALDH1A1
SCHEMBL7409022 0.70 KMT2A (0.47) LMNAKMT2AMEN1MAPT
SCHEMBL7408065 0.70 HDAC6 (0.47) TSHRPTGDR2ALDH1A1
SCHEMBL12127611 0.70 HTR6 (0.45) KMT2AMEN1
SCHEMBL7416617 0.69 KMT2A (0.49) MAPK1KDM4EKMT2AHSD17B10MEN1
SCHEMBL7413011 0.69 PTGDR2 (0.46) KDM4EKMT2APTGDR2HSD17B10ALDH1A1
SCHEMBL7407231 0.69 PTGDR2 (0.56) PTGDR2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-4062864-A ANALGESIC, PSYCHOTROPIC, ANTIHISTAMINE STERLING DRUG INC. (US) 1977-12-13 US claimed
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