SCHEMBL3401646

SCHEMBL3401646

CCC(c1ccc(O)cc1)(c1ccc(O)cc1)c1ccc(Cl)cc1.CCCCC(c1ccc(O)cc1)(c1ccc(O)cc1)c1ccc(Br)cc1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ ESR1 P03372 8/20 0.47
▸ ESR2 Q92731 6/20 0.47
▸ CYP19A1 P11511 1/20 0.43
▸ POLB P06746 1/20 0.40
▸ SMN1; SMN2 Q16637 1/20 0.40
▸ L3MBTL1 Q9Y468 1/20 0.40
▸ KIF11 P52732 1/20 0.40
▸ BCL2 P10415 1/20 0.36
▸ ALOX15 P16050 1/20 0.36
▸ MEN1 O00255 2/20 0.36
▸ KMT2A Q03164 2/20 0.36
▸ ALDH1A1 P00352 1/20 0.36
▸ HDAC3 O15379 2/20 0.35
▸ HDAC1 Q13547 2/20 0.35
▸ HDAC2 Q92769 2/20 0.35
▸ HDAC10 Q969S8 1/20 0.35
▸ HDAC11 Q96DB2 1/20 0.35
▸ HDAC8 Q9BY41 1/20 0.35
▸ HDAC6 Q9UBN7 1/20 0.35
▸ NCOR2 Q9Y618 1/20 0.35

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
SCHEMBL3151404 0.88 ESR1 (0.59) ESR1ESR2ALOX15ALDH1A1HDAC3
SCHEMBL3151332 0.82 CYP19A1 (0.59) ESR1ESR2CYP19A1POLBSMN1; SMN2
SCHEMBL3154886 0.82 ALOX15 (0.54) ESR1ESR2CYP19A1SMN1; SMN2L3MBTL1
SCHEMBL3020449 0.80 ESR1 (0.70) ESR1ESR2ALDH1A1
SCHEMBL6743316 0.75 ESR1 (0.62) ESR1ESR2ALDH1A1
SCHEMBL31757305 0.74 ESR1 (0.61) ESR1ESR2ALDH1A1
SCHEMBL3137055 0.74 ESR2 (0.61) ESR1ESR2KIF11ALDH1A1
SCHEMBL6744335 0.73 ESR1 (0.60) ESR1ESR2ALDH1A1
SCHEMBL6743890 0.73 ESR1 (0.60) ESR1ESR2ALDH1A1
SCHEMBL1691543 0.73 ESR1 (0.60) ESR1ESR2ALDH1A1

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
EP-2137140-B1 NOVEL DIAZONAPHTHOQUINONESULFONIC ACID BISPHENOL DERIVATIVE USEFUL IN PHOTO LITHOGRAPHIC SUB MICRON PATTERNING AND A PROCESS FOR PREPARATION THEREOF COUNCIL SCIENT IND RES (IN) 2010-11-10 — — EP claimed
EP-2137140-B1 NOVEL DIAZONAPHTHOQUINONESULFONIC ACID BISPHENOL DERIVATIVE USEFUL IN PHOTO LITHOGRAPHIC SUB MICRON PATTERNING AND A PROCESS FOR PREPARATION THEREOF COUNCIL SCIENT IND RES (IN) 2010-11-10 — — EP disclosed
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