SCHEMBL10112754

SCHEMBL10112754

COc1ccc(C(C)(C)c2cccc(C(C)(C)c3ccc(OC)cc3)c2)cc1

nearest known ligand 0.59

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ESR1 P03372 2/20 0.59
ESR2 Q92731 2/20 0.59
CA12 O43570 1/20 0.46
CA1 P00915 1/20 0.46
CA2 P00918 1/20 0.46
CA7 P43166 1/20 0.46
CA9 Q16790 1/20 0.46
CA14 Q9ULX7 1/20 0.46
SMN1; SMN2 Q16637 2/20 0.43
KIF11 P52732 2/20 0.42
KCNH2 Q12809 1/20 0.42
ALDH1A1 P00352 3/20 0.42
CYP3A4 P08684 1/20 0.42
ABL1 P00519 1/20 0.41
ABCB1 P08183 1/20 0.41
BCR P11274 1/20 0.41
CA4 P22748 1/20 0.41
MAPT P10636 1/20 0.41
LMNA P02545 2/20 0.40
MEN1 O00255 2/20 0.40

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
SCHEMBL19318219 0.93 ACHE (0.54) ESR1ESR2CA12CA1CA2
SCHEMBL27727027 0.87 ESR2 (0.59) ESR1ESR2SMN1; SMN2ALDH1A1CYP3A4
SCHEMBL2689280 0.87 CA4 (0.56) ESR1ESR2CA12CA1CA2
SCHEMBL10112753 0.87 CA1 (0.61) ESR1ESR2CA12CA1CA2
SCHEMBL25986528 0.87 CA1 (0.61) ESR1ESR2CA12CA1CA2
SCHEMBL83852 0.87 CA1 (0.61) ESR1ESR2CA12CA1CA2
SCHEMBL18618235 0.87 ALDH1A1 (0.59) ESR1ESR2SMN1; SMN2ALDH1A1ABL1
SCHEMBL10032079 0.85 ESR1 (0.49) ESR1ESR2SMN1; SMN2ALDH1A1CYP3A4
SCHEMBL16355302 0.83 ALDH1A1 (0.48) ESR1ESR2SMN1; SMN2ALDH1A1MAPT
SCHEMBL8408204 0.83 ACHE (0.52) ESR1ESR2CA1CA2CA7

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
US-20230235115-A1 ESTER COMPOUND AND RESIN COMPOSITION AJINOMOTO CO., INC. (JP) 2023-07-27 US disclosed
US-20230235115-A1 ESTER COMPOUND AND RESIN COMPOSITION AJINOMOTO CO., INC. (JP) 2023-07-27 US disclosed
US-20120052412-A1 POLYARYLENE BLOCK COPOLYMER HAVING SULFONIC ACID GROUP AND USE THEREOF HONDA MOTOR CO., LTD. (JP) 2012-03-01 US disclosed
US-20120052412-A1 POLYARYLENE BLOCK COPOLYMER HAVING SULFONIC ACID GROUP AND USE THEREOF HONDA MOTOR CO., LTD. (JP) 2012-03-01 US disclosed
EP-2424018-A1 Polyarylene block copolymer having sulfonic acid group and use thereof JSR Corporation (JP) 2012-02-29 EP disclosed
EP-1438756-B1 ELECTROPHOSPHORESCENT ASSEMBLY COMPRISING CONDUCTIVE POLYMERS STARCK H C GMBH (DE) 2008-04-09 EP disclosed