SCHEMBL7416472

SCHEMBL7416472

CC(C)c1ccc(C(=O)OC2CCc3c(c4cc(S(C)(=O)=O)ccc4n3CCN3CCCCC3)C2)cc1

nearest known ligand 0.40

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
PTGS1 P23219 2/20 0.40
PTGS2 P35354 2/20 0.40
SCARB1 Q8WTV0 5/20 0.39
HTR6 P50406 3/20 0.39
TBXA2R P21731 2/20 0.38
PTGDR Q13258 2/20 0.38
SIRT2 Q8IXJ6 2/20 0.35
SIRT1 Q96EB6 1/20 0.35
BCHE P06276 1/20 0.34
PTGDR2 Q9Y5Y4 1/20 0.34
MEN1 O00255 1/20 0.34
KMT2A Q03164 1/20 0.34
SIGMAR1 Q99720 1/20 0.34

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
SCHEMBL7403922 0.79 SCARB1 (0.48) PTGS1PTGS2SCARB1TBXA2RPTGDR
SCHEMBL7408143 0.76 SCARB1 (0.52) PTGS1PTGS2SCARB1HTR6
SCHEMBL7409165 0.74 KMT2A (0.48) HTR6MEN1KMT2A
SCHEMBL7416435 0.71 SCARB1 (0.40) PTGS1PTGS2SCARB1HTR6SIRT2
SCHEMBL7413011 0.64 PTGDR2 (0.46) HTR6TBXA2RPTGDRPTGDR2MEN1
SCHEMBL7405351 0.64 PTGDR2 (0.43) PTGDR2MEN1KMT2A
Hydrochloric Acid SCHEMBL7452433 0.63 PTGDR2 (0.45) HTR6TBXA2RPTGDRPTGDR2MEN1
SCHEMBL26814906 0.62 KMT2A (0.70) BCHEMEN1KMT2A
SCHEMBL7408312 0.62 DRD2 (0.53) HTR6TBXA2RPTGDRPTGDR2MEN1
SCHEMBL19226482 0.62 SCN1A (0.71) BCHEMEN1KMT2A

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