SCHEMBL11052085

SCHEMBL11052085

CC(C)=CCc1ccc(C(C)C#N)cc1

nearest known ligand 0.35

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ESR1 P03372 8/20 0.35
ESR2 Q92731 7/20 0.35
CYP2C9 P11712 3/20 0.35
MEN1 O00255 2/20 0.35
ALDH1A1 P00352 2/20 0.35
CYP3A4 P08684 2/20 0.35
KMT2A Q03164 2/20 0.35
CYP1A2 P05177 1/20 0.35
CYP2C19 P33261 1/20 0.35
TRPA1 O75762 1/20 0.35
AKR1C3 P42330 3/20 0.33
GGPS1 O95749 1/20 0.32
PTGS1 P23219 4/20 0.32
PTGS2 P35354 4/20 0.32
LMNA P02545 2/20 0.32
CXCR1 P25024 2/20 0.32
CXCR2 P25025 2/20 0.32
ALB P02768 1/20 0.32
ALOX5 P09917 1/20 0.32
RARB P10826 1/20 0.32

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
SCHEMBL11498092 0.79 ALDH1A1 (0.44) ESR1ESR2CYP2C9MEN1ALDH1A1
SCHEMBL11049762 0.78 NOS3 (0.40) ESR1ESR2CYP2C9MEN1ALDH1A1
SCHEMBL11054844 0.77 TRPA1 (0.38) ESR1ESR2CYP2C9MEN1ALDH1A1
SCHEMBL9883181 0.76 ESR1 (0.40) ESR1ESR2CYP2C9MEN1ALDH1A1
SCHEMBL6565095 0.74 ESR1 (0.43) ESR1ESR2CYP2C9MEN1ALDH1A1
SCHEMBL6848221 0.74 PTGS2 (0.61) ESR1CYP2C9KMT2AAKR1C3PTGS1
SCHEMBL11130575 0.74 TRPA1 (0.36) ESR1ESR2CYP2C9MEN1ALDH1A1
SCHEMBL11129645 0.74 PTGS1 (0.36) ESR1ESR2CYP2C9MEN1ALDH1A1
SCHEMBL955062 0.74 CYP2A6 (0.50) ESR1ESR2CYP2C9MEN1ALDH1A1
SCHEMBL11327771 0.72 PTGS2 (0.59) ESR1CYP2C9KMT2AAKR1C3PTGS1

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-0073447-B1 PROCESS FOR PRODUCING 1-(P-PRENYLPHENYL)ETHANOL TAISHO PHARMACEUTICAL CO. LTD (JP) 1984-11-21 EP disclosed
US-4436939-A Process for producing 1-(p-prenylphenyl)ethanol TAISHO PHARMACEUTICAL CO., LTD. (JP) 1984-03-13 US disclosed
EP-0073447-A1 Process for producing 1-(p-prenylphenyl)ethanol TAISHO PHARMACEUTICAL CO. LTD (JP) 1983-03-09 EP disclosed
US-4251543-A ANTIINFLAMMATORY AGENTS, ANALGESICS TAISHO PHARMACEUTICAL CO., LTD. (JP) 1981-02-17 US disclosed