SCHEMBL7409117

SCHEMBL7409117

CN(C)C1CCc2[nH]c3c(C(=O)O)cccc3c2C1

nearest known ligand 0.59

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
GFER P55789 2/20 0.59
ALOX15 P16050 1/20 0.45
MAPK1 P28482 1/20 0.45
CASP1 P29466 1/20 0.45
CASP7 P55210 1/20 0.45
HSD17B10 Q99714 1/20 0.45
CHRM3 P20309 2/20 0.45
HTR1F P30939 1/20 0.44
CHRM2 P08172 1/20 0.41
CHRM1 P11229 1/20 0.41
PBRM1 Q86U86 1/20 0.39
HTR6 P50406 1/20 0.39
HTR1D P28221 3/20 0.39
HTR1B P28222 3/20 0.39
KMT2A Q03164 1/20 0.39
KDM4E B2RXH2 1/20 0.39
MAPT P10636 1/20 0.39
PIM1 P11309 1/20 0.39
TDP1 Q9NUW8 1/20 0.39

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
Water SCHEMBL7414567 0.99 GFER (0.57) GFERALOX15MAPK1CASP1CASP7
SCHEMBL7413250 0.89 GFER (0.45) GFERALOX15MAPK1CASP1CASP7
SCHEMBL7410680 0.89 ALOX15 (0.60) GFERALOX15MAPK1CASP1CASP7
SCHEMBL7412289 0.89 GFER (0.45) GFERALOX15MAPK1CASP1CASP7
SCHEMBL7409574 0.84 ALDH1A1 (0.45) GFERALOX15MAPK1CASP1CASP7
SCHEMBL6622873 0.84 GFER (0.63) GFERALOX15MAPK1CASP1CASP7
SCHEMBL7408410 0.83 GFER (0.43) GFERALOX15MAPK1CASP1CASP7
Hydrochloric Acid SCHEMBL7407346 0.83 ALDH1A1 (0.44) GFERALOX15MAPK1CASP1CASP7
SCHEMBL7417232 0.83 BRD4 (0.41) GFERALOX15MAPK1CASP1CASP7
SCHEMBL7411548 0.82 HRH3 (0.40) GFERALOX15MAPK1CASP1CASP7

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