SCHEMBL8128147

SCHEMBL8128147

CCOCC(=O)c1ccc(CC(C)C)cc1

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PTGS1 P23219 4/20 0.45
PTGS2 P35354 4/20 0.45
CXCR1 P25024 3/20 0.45
CXCR2 P25025 3/20 0.45
LMNA P02545 2/20 0.45
CYP2C9 P11712 2/20 0.45
AKR1C3 P42330 2/20 0.45
ALB P02768 1/20 0.45
ESR1 P03372 1/20 0.45
ALOX5 P09917 1/20 0.45
RARB P10826 1/20 0.45
ADRB3 P13945 1/20 0.45
NFKB1 P19838 1/20 0.45
HTR2A P28223 1/20 0.45
NR1I3 Q14994 1/20 0.45
SLC22A6 Q4U2R8 1/20 0.45
CXCL8 P10145 1/20 0.45
TSHR P16473 1/20 0.45
AKR1C2 P52895 1/20 0.45
BLM P54132 1/20 0.45

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
SCHEMBL9544312 0.84 THRA (0.46) PTGS1PTGS2CXCR1CXCR2LMNA
Ether SCHEMBL11548898 0.84 PPARG (0.45) PTGS1PTGS2CXCR1CXCR2LMNA
SCHEMBL9544632 0.83 CXCR1 (0.47) PTGS1PTGS2CXCR1CXCR2LMNA
SCHEMBL2140146 0.80 PTGS1 (0.52) PTGS1PTGS2CXCR1CXCR2LMNA
Methoxymethane SCHEMBL11481514 0.79 PPARG (0.49) PTGS1PTGS2CXCR1CXCR2LMNA
SCHEMBL30089557 0.78 PTGS1 (0.53) PTGS1PTGS2CXCR1CXCR2LMNA
SCHEMBL8083048 0.77 HSD17B3 (0.58) PTGS1PTGS2CXCR1CXCR2LMNA
SCHEMBL13606921 0.77 NPC1 (0.54) LMNANFKB1TSHRALDH1A1NPC1
SCHEMBL9441164 0.77 PTGS1 (0.52) PTGS1PTGS2CXCR1CXCR2LMNA
SCHEMBL20135573 0.77 PLA2G4B (0.51) TSHRALDH1A1NPC1MAPTRAB9A

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
EP-0519353-B1 Indolizin derivatives, process for their preparation and pharmaceutical composition containing them FUJISAWA PHARMACEUTICAL CO (JP) 2000-08-16 EP disclosed
US-5334716-A Preventing testosteron 5a-reductase mediated diseases; alopecia, acne, prostatism FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 1994-08-02 US disclosed
WO-1993016996-A1 INDOLE DERIVATIVES AS TESTOSTERONE-5-ALPHA-REDUCTASE INHIBITORS FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 1993-09-02 WO disclosed
EP-0519353-A2 Indolizin derivatives, process for their preparation and pharmaceutical composition containing them FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 1992-12-23 EP disclosed