SCHEMBL9377031

SCHEMBL9377031

CCCc1cc(OCCCBr)cc(C(C)=O)c1O

nearest known ligand 0.40

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
▸ MAOB P27338 4/20 0.40
▸ PPARD Q03181 3/20 0.40
▸ PPARG P37231 2/20 0.40
▸ PPARA Q07869 2/20 0.40
▸ GRM2 Q14416 2/20 0.40
▸ LMNA P02545 1/20 0.40
▸ CYP1A2 P05177 1/20 0.40
▸ MAPT P10636 1/20 0.40
▸ CYP2C9 P11712 1/20 0.40
▸ NFKB1 P19838 1/20 0.40
▸ BLM P54132 1/20 0.40
▸ CYSLTR2 Q9NS75 5/20 0.40
▸ CYSLTR1 Q9Y271 5/20 0.40
▸ LTB4R Q15722 4/20 0.39
▸ LTB4R2 Q9NPC1 2/20 0.39
▸ PRKCI P41743 1/20 0.36
▸ PLA2G2A P14555 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
SCHEMBL7648311 0.89 PPARG (0.41) MAOBPPARDPPARGPPARAGRM2
SCHEMBL10691277 0.80 PPARG (0.48) PPARDPPARGPPARAGRM2LMNA
Bromide SCHEMBL9383528 0.78 CYSLTR2 (0.41) PPARDPPARGPPARAGRM2LMNA
SCHEMBL11020870 0.77 POLB (0.46) MAOBPPARDPPARGPPARAGRM2
SCHEMBL11022202 0.77 POLB (0.46) MAOBPPARDPPARGPPARAGRM2
SCHEMBL28743467 0.76 PPARG (0.41) PPARGPPARALMNACYSLTR2CYSLTR1
SCHEMBL10691798 0.76 CYSLTR2 (0.50) PPARDPPARGPPARAGRM2LMNA
SCHEMBL11027106 0.74 CYSLTR2 (0.46) PPARDPPARGPPARAGRM2LMNA
SCHEMBL10687332 0.73 PPARG (0.46) PPARDPPARGPPARAGRM2LMNA
SCHEMBL9376210 0.73 PTPN1 (0.50) LMNAMAPTPRKCI

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0335315-B1 New alkanephenones CIBA GEIGY AG (CH) 1994-06-22 — — EP disclosed
US-5149717-A Alkanophenones useful for treating allergies CIBA-GEIGY CORPORATION (US) 1992-09-22 — — US disclosed
EP-0335315-A1 New alkanephenones CIBA-GEIGY AG (CH) 1989-10-04 — — EP disclosed
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