SCHEMBL9418191

SCHEMBL9418191

NC(=O)CC(CCCCCc1c(-c2ccc(O)cc2)ccc2cc(O)ccc12)c1ccccc1

nearest known ligand 0.35

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ HDAC3 O15379 2/20 0.33
▸ HDAC4 P56524 2/20 0.33
▸ HDAC1 Q13547 2/20 0.33
▸ HDAC7 Q8WUI4 2/20 0.33
▸ HDAC2 Q92769 2/20 0.33
▸ HDAC10 Q969S8 2/20 0.33
▸ HDAC11 Q96DB2 2/20 0.33
▸ HDAC8 Q9BY41 2/20 0.33
▸ HDAC6 Q9UBN7 2/20 0.33
▸ HDAC9 Q9UKV0 2/20 0.33
▸ HDAC5 Q9UQL6 2/20 0.33
▸ TRPV1 Q8NER1 1/20 0.33
▸ CDK4 P11802 1/20 0.33
▸ CCND1 P24385 1/20 0.33
▸ ESR1 P03372 4/20 0.33
▸ ESR2 Q92731 4/20 0.33
▸ ALDH1A1 P00352 2/20 0.32
▸ GPR84 Q9NQS5 1/20 0.32
▸ ALDH2 P05091 2/20 0.32
▸ HSD17B10 Q99714 1/20 0.32

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
SCHEMBL10593635 0.73 CDK4 (0.43) CDK4CCND1ESR1ESR2ALDH1A1
SCHEMBL5367335 0.72 ESR1 (0.35) ESR1ESR2ALDH2HSD17B10
SCHEMBL5353460 0.72 ESR1 (0.35) ESR1ESR2ALDH2HSD17B10
SCHEMBL9418189 0.71 TRPV1 (0.50) HDAC3HDAC1HDAC2HDAC10HDAC11
SCHEMBL5358039 0.70 ESR1 (0.39) ESR1ESR2ALDH2
SCHEMBL5350016 0.69 ESR1 (0.34) ESR1ESR2ALDH1A1HSD17B10SMN1; SMN2
SCHEMBL21359025 0.67 ALDH1A1 (0.49) HDAC3HDAC4HDAC1HDAC7HDAC2
SCHEMBL9862532 0.66 ESR1 (0.42) ESR1ESR2ALDH2SMN1; SMN2NPC1
SCHEMBL9862642 0.66 CNR2 (0.51) HDAC3HDAC1HDAC2HDAC8TRPV1
SCHEMBL9862540 0.65 ESR1 (0.39) ESR1ESR2ALDH1A1GPR84HSD17B10

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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