SCHEMBL11809115

SCHEMBL11809115

CC1(c2ccc(OP(Oc3ccc(C4(C)CCCCC4)cc3C3(C)CCCCC3)Oc3ccc(C4(C)CCCCC4)cc3C3(C)CCCCC3)c(C3(C)CCCCC3)c2)CCCCC1

nearest known ligand 0.41

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
PTGDR Q13258 1/20 0.41
PTGDR2 Q9Y5Y4 1/20 0.41
RARB P10826 3/20 0.38
RARG P13631 3/20 0.38
RARA P10276 2/20 0.38
LMNA P02545 1/20 0.34
GLA P06280 1/20 0.30
TSHR P16473 1/20 0.30
ALOX12 P18054 1/20 0.30

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
SCHEMBL9556889 0.76 SIGMAR1 (0.33) PTGDRPTGDR2
SCHEMBL16033419 0.74 ESR1 (0.41) PTGDRPTGDR2RARBRARGRARA
SCHEMBL28971843 0.74 RARB (0.49) PTGDRPTGDR2RARBRARGRARA
SCHEMBL10348219 0.72 PTGDR2 (0.42) PTGDRPTGDR2RARBRARGRARA
SCHEMBL11026097 0.72 PTGDR2 (0.42) PTGDRPTGDR2RARBRARGRARA
SCHEMBL16037802 0.72 ESR1 (0.39) PTGDRPTGDR2RARBRARGLMNA
SCHEMBL7949638 0.70 PTGDR (0.40) PTGDRPTGDR2RARBRARGRARA
SCHEMBL10602015 0.70 ESR1 (0.42)
SCHEMBL9264215 0.67 LMNA (0.53) LMNATSHR
SCHEMBL4987796 0.67 KMT2A (0.41)

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-3960758-A SULFUR-CONTAINING PHENOL BAYER AKTIENGESELLSCHAFT (DT) 1976-06-01 US disclosed