SCHEMBL27649742

SCHEMBL27649742

COc1ccc(-c2cccc(-c3ccccc3)c2)cc1

nearest known ligand 0.77

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ABL1 P00519 3/20 0.77
ABCB1 P08183 3/20 0.77
BCR P11274 3/20 0.77
CYP1A1 P04798 1/20 0.61
CYP1A2 P05177 1/20 0.61
CYP2E1 P05181 1/20 0.61
CYP3A4 P08684 1/20 0.61
CYP2C8 P10632 1/20 0.61
CYP2D6 P10635 1/20 0.61
CYP2A6 P11509 1/20 0.61
CYP2C9 P11712 1/20 0.61
CYP4B1 P13584 1/20 0.61
CYP2B6 P20813 1/20 0.61
CYP3A5 P20815 1/20 0.61
CYP2A7 P20853 1/20 0.61
CYP3A7 P24462 1/20 0.61
CYP2F1 P24903 1/20 0.61
CYP2C18 P33260 1/20 0.61
CYP2C19 P33261 1/20 0.61
CYP2J2 P51589 1/20 0.61

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
SCHEMBL1180429 0.95 ABL1 (0.83) ABL1ABCB1BCRCYP1A1CYP1A2
SCHEMBL28102062 0.93 ABL1 (0.73) ABL1ABCB1BCRCYP1A1CYP1A2
Biphenyl SCHEMBL11784329 0.91 CA4 (0.68) ABL1ABCB1BCRCA4BACE1
SCHEMBL291776 0.91 CA4 (0.68) ABL1ABCB1BCRCA4BACE1
SCHEMBL9152375 0.91 CA4 (0.68) ABL1ABCB1BCRCA4BACE1
SCHEMBL17283658 0.91 CA4 (0.68) ABL1ABCB1BCRCA4BACE1
SCHEMBL27399871 0.89 ABL1 (0.74) ABL1ABCB1BCRCYP1A1CYP1A2
SCHEMBL1181204 0.89 ABL1 (0.81) ABL1ABCB1BCRCYP1A1CYP1A2
Water SCHEMBL3540832 0.88 CA4 (0.65) ABL1ABCB1BCRCA4BACE1
SCHEMBL28478235 0.88 CA4 (0.65) ABL1ABCB1BCRCA4BACE1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-100381421-C Process for producing triarylsulfonium salt WAKO PURE CHEM IND LTD (JP) 2008-04-16 CN disclosed
CN-1871212-A Process for producing triarylsulfonium salt WAKO PURE CHEM IND LTD (JP) 2006-11-29 CN disclosed