SCHEMBL6037684

SCHEMBL6037684

O=C(CCCCCCCBr)OC(c1ccccc1)c1ccccc1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CRHBP P24387 1/20 0.47
CRHR2 Q13324 1/20 0.47
ESR1 P03372 1/20 0.46
ESR2 Q92731 1/20 0.46
LPAR1 Q92633 3/20 0.44
MGLL Q99685 1/20 0.43
L3MBTL1 Q9Y468 2/20 0.43
LMNA P02545 2/20 0.43
MAPT P10636 1/20 0.43
TDP1 Q9NUW8 1/20 0.43
HDAC3 O15379 1/20 0.40
HDAC4 P56524 1/20 0.40
HDAC1 Q13547 1/20 0.40
HDAC7 Q8WUI4 1/20 0.40
HDAC2 Q92769 1/20 0.40
HDAC10 Q969S8 1/20 0.40
HDAC11 Q96DB2 1/20 0.40
HDAC8 Q9BY41 1/20 0.40
HDAC6 Q9UBN7 1/20 0.40
HDAC9 Q9UKV0 1/20 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
SCHEMBL21861457 1.00 CRHBP (0.47) CRHBPCRHR2ESR1ESR2LPAR1
SCHEMBL7521589 0.98 CRHBP (0.48) CRHBPCRHR2ESR1ESR2LPAR1
SCHEMBL27413653 0.93 CRHBP (0.51) CRHBPCRHR2ESR1ESR2LPAR1
SCHEMBL27333858 0.88 HDAC3 (0.49) CRHBPCRHR2ESR1ESR2MGLL
SCHEMBL27716236 0.88 HDAC3 (0.49) CRHBPCRHR2ESR1ESR2MGLL
SCHEMBL9261002 0.87 MGLL (0.47) CRHBPCRHR2ESR1ESR2LPAR1
SCHEMBL28833591 0.86 CRHBP (0.49) CRHBPCRHR2ESR1ESR2MGLL
SCHEMBL4214175 0.85 LMNA (0.54) CRHBPCRHR2LMNAMAPTALDH1A1
SCHEMBL964635 0.85 LMNA (0.54) CRHBPCRHR2LMNAMAPTALDH1A1
SCHEMBL966036 0.85 LMNA (0.54) CRHBPCRHR2LMNAMAPTALDH1A1

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
US-20060216761-A1 Isolation material for hormone disrupting substance, method of concentrating and method of clean-up JAPAN ENVIROCHEMICALS, LTD. (JP) 2006-09-28 US disclosed
EP-1514597-A1 ISOLATION MATERIAL FOR HORMONE DISRUPTING SUBSTANCE, METHOD OF CONCENTRATING AND METHOD OF CLEAN-UP Japan Envirochemicals, Ltd. (JP) 2005-03-16 EP disclosed