SCHEMBL11054844

SCHEMBL11054844

CC(C)=CCc1ccc(C(C)Cl)cc1

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TRPA1 O75762 1/20 0.38
TSHR P16473 2/20 0.34
MAPK1 P28482 1/20 0.34
ATM Q13315 1/20 0.34
TDP1 Q9NUW8 1/20 0.34
L3MBTL1 Q9Y468 1/20 0.34
PTGS1 P23219 4/20 0.34
PTGS2 P35354 4/20 0.34
LMNA P02545 2/20 0.34
CYP2C9 P11712 2/20 0.34
AKR1C3 P42330 2/20 0.34
CXCR1 P25024 2/20 0.34
CXCR2 P25025 2/20 0.34
ESR1 P03372 2/20 0.34
ALB P02768 1/20 0.34
ALOX5 P09917 1/20 0.34
RARB P10826 1/20 0.34
ADRB3 P13945 1/20 0.34
NFKB1 P19838 1/20 0.34
HTR2A P28223 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
SCHEMBL11049762 0.82 NOS3 (0.40) TRPA1TSHRPTGS1PTGS2LMNA
SCHEMBL6848221 0.78 PTGS2 (0.61) TSHRPTGS1PTGS2LMNACYP2C9
SCHEMBL11129645 0.78 PTGS1 (0.36) TRPA1TSHRPTGS1PTGS2LMNA
SCHEMBL11130575 0.78 TRPA1 (0.36) TRPA1TSHRPTGS1PTGS2LMNA
SCHEMBL11327771 0.77 PTGS2 (0.59) TSHRPTGS1PTGS2LMNACYP2C9
SCHEMBL11052085 0.77 ESR1 (0.35) TRPA1TSHRPTGS1PTGS2LMNA
SCHEMBL8674127 0.76 ALDH1A1 (0.48) TSHRMAPK1ATMTDP1L3MBTL1
SCHEMBL11052769 0.75 SLC6A2 (0.43) TRPA1LMNAHTR2AMEN1KMT2A
SCHEMBL7757758 0.75 TRPA1 (0.42) TRPA1PTGS1PTGS2LMNACYP2C9
SCHEMBL11339075 0.75 PTGS1 (0.46) TSHRPTGS1PTGS2LMNACYP2C9

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