SCHEMBL9418189

SCHEMBL9418189

O=C(CCc1ccccc1)NCCCCCc1c(-c2ccc(O)cc2)ccc2cc(O)ccc12

nearest known ligand 0.60

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ TRPV1 Q8NER1 5/20 0.50
▸ TOP2A P11388 1/20 0.48
▸ TOP2B Q02880 1/20 0.48
▸ HPGD P15428 1/20 0.47
▸ MAPT P10636 1/20 0.46
▸ LMNA P02545 2/20 0.45
▸ TSHR P16473 1/20 0.45
▸ HDAC1 Q13547 2/20 0.44
▸ HDAC2 Q92769 2/20 0.44
▸ HDAC8 Q9BY41 2/20 0.44
▸ HDAC6 Q9UBN7 2/20 0.44
▸ HCAR2 Q8TDS4 2/20 0.44
▸ L3MBTL1 Q9Y468 1/20 0.43
▸ KDM4E B2RXH2 1/20 0.43
▸ GRIA1 P42261 1/20 0.43
▸ KEAP1 Q14145 1/20 0.43
▸ NFE2L2 Q16236 1/20 0.43
▸ HDAC3 O15379 1/20 0.42
▸ HDAC10 Q969S8 1/20 0.42
▸ HDAC11 Q96DB2 1/20 0.42

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
SCHEMBL9862642 0.85 CNR2 (0.51) TRPV1MAPTHDAC1HDAC2HDAC8
SCHEMBL7379616 0.76 TRPV1 (0.76) TRPV1HPGDLMNATSHRHDAC1
SCHEMBL8744900 0.73 HPGD (0.81) TRPV1HPGDLMNATSHRHDAC1
SCHEMBL10593635 0.73 CDK4 (0.43) HPGDMAPTKDM4E
SCHEMBL9862542 0.72 MTNR1A (0.44) HPGD
SCHEMBL5335468 0.71 MTNR1A (0.52) TRPV1MAPTLMNA
SCHEMBL9418191 0.71 HDAC3 (0.33) TRPV1HPGDHDAC1HDAC2HDAC8
SCHEMBL17589255 0.71 HPGD (0.72) TRPV1HPGDLMNATSHRHDAC1
SCHEMBL5263499 0.70 TRPV1 (0.57) TRPV1HPGDLMNAHDAC1HDAC2
SCHEMBL6136136 0.70 TRPV1 (0.50) TRPV1TOP2ATOP2BMAPTHDAC1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0346014-B1 Therapeutic product for the treatment of peri- or postmenopausal conditions ZENECA LTD (GB) 1994-08-03 — — EP disclosed
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