SCHEMBL6933308

SCHEMBL6933308

CC(CO)c1ccc(C(c2ccc(C(C)CO)cc2)c2ccc(C(C)CO)cc2)cc1

nearest known ligand 0.47

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
ABCB11 O95342 1/20 0.47
TRPA1 O75762 4/20 0.45
ESR1 P03372 3/20 0.41
ESR2 Q92731 3/20 0.41
ACHE P22303 1/20 0.36
TAAR1 Q96RJ0 2/20 0.36
MIF P14174 1/20 0.35
PDCD1 Q15116 1/20 0.35
CD274 Q9NZQ7 1/20 0.35
CYP2C9 P11712 1/20 0.33
FFAR1 O14842 1/20 0.33
ALDH1A1 P00352 1/20 0.33
TSHR P16473 1/20 0.33
STAT3 P40763 1/20 0.33

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
SCHEMBL2641075 0.92 ABCB11 (0.52) ABCB11TRPA1ESR1ESR2ACHE
SCHEMBL28632394 0.91 TRPA1 (0.59) ABCB11TRPA1TAAR1ALDH1A1
SCHEMBL9694221 0.84 ABCB11 (0.47) ABCB11TRPA1ESR1ESR2FFAR1
SCHEMBL10396707 0.84 ABCB11 (0.47) ABCB11TRPA1ESR1ESR2CYP2C9
SCHEMBL10396706 0.84 ABCB11 (0.47) ABCB11TRPA1ESR1ESR2CYP2C9
SCHEMBL548248 0.82 ESR1 (0.61) ABCB11TRPA1ESR1ESR2TAAR1
SCHEMBL12195408 0.82 ACHE (0.53) ABCB11TRPA1ESR1ESR2ACHE
SCHEMBL12195409 0.82 ESR1 (0.61) ABCB11TRPA1ESR1ESR2TAAR1
SCHEMBL20811781 0.82 ACHE (0.53) ABCB11TRPA1ESR1ESR2ACHE
SCHEMBL8076390 0.82 ABCB11 (0.46) ABCB11TRPA1ESR1ESR2ACHE

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-0911153-B1 Image forming method KONISHIROKU PHOTO IND (JP) 2003-12-10 EP disclosed
US-6174646-B1 IMAGEWISE HEATING OR EXPOSING IMAGE FORMING MATERIAL TO LASER WHEREIN IMAGE FORMING MATERIAL COMPRISES SUPPORT HAVING RADIATION SENSITIVE LAYER CONTAINING DYE, AN ACID GENERATING COMPOUND CAPABLE OF GENERATING ACID ON IRRADIATION KONICA CORPORATION (JP) 2001-01-16 US disclosed
EP-0911153-A1 Image forming method KONICA CORPORATION (JP) 1999-04-28 EP disclosed