SCHEMBL28335451

SCHEMBL28335451

COc1cc(OC)cc(-c2ccc(S(=O)(=O)O)cc2)c1

nearest known ligand 0.58

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ABL1 P00519 5/20 0.58
ABCB1 P08183 5/20 0.58
BCR P11274 5/20 0.58
RXRA P19793 1/20 0.56
CYP1A1 P04798 1/20 0.47
CYP1A2 P05177 1/20 0.47
CYP2E1 P05181 1/20 0.47
CYP3A4 P08684 1/20 0.47
CYP2C8 P10632 1/20 0.47
CYP2D6 P10635 1/20 0.47
CYP2A6 P11509 1/20 0.47
CYP2C9 P11712 1/20 0.47
CYP4B1 P13584 1/20 0.47
CYP2B6 P20813 1/20 0.47
CYP3A5 P20815 1/20 0.47
CYP2A7 P20853 1/20 0.47
CYP3A7 P24462 1/20 0.47
CYP2F1 P24903 1/20 0.47
CYP2C18 P33260 1/20 0.47
CYP2C19 P33261 1/20 0.47

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
SCHEMBL2947753 0.86 PKM (0.59) KDM4EALDH1A1NPC1RAB9APKM
SCHEMBL28335295 0.86 ABL1 (0.58) ABL1ABCB1BCRRXRACYP1A1
SCHEMBL30084357 0.86 ABL1 (0.58) ABL1ABCB1BCRRXRACYP1A1
SCHEMBL2943584 0.84 PLAU (0.57) ABL1ABCB1BCRCYP1A1CYP1A2
SCHEMBL669049 0.80 ALDH1A1 (0.52) ABL1ABCB1BCRCYP1A1CYP1B1
SCHEMBL286762 0.80 PKM (0.67) KDM4EALDH1A1NPC1RAB9APKM
SCHEMBL14514123 0.80 LMNA (0.56) CYP2D6CYP2C9CYP2C19KDM4EALDH1A1
Ammonia Solution, Strong SCHEMBL25386463 0.78 PKM (0.64) KDM4EALDH1A1NPC1RAB9APKM
Hydrochloric Acid SCHEMBL1328452 0.78 PKM (0.64) KDM4EALDH1A1NPC1RAB9APKM
SCHEMBL8627561 0.78 PKM (0.64) KDM4EALDH1A1NPC1RAB9APKM

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-110564205-B Aqueous ink composition comprising polyisoprene 施乐公司 2022-11-25 CN disclosed
CN-110564203-B Aqueous transparent ink composition 施乐公司 2021-12-31 CN disclosed
CN-113195637-A Release coating compositions and articles made therefrom 3M创新有限公司 2021-07-30 CN disclosed
CN-110564204-A Aqueous ink composition containing polymer additive 施乐公司 2019-12-13 CN disclosed
CN-110564203-A Aqueous transparent ink composition 施乐公司 2019-12-13 CN disclosed
CN-110564205-A Aqueous ink composition comprising polyisoprene 施乐公司 2019-12-13 CN disclosed