SCHEMBL4721231

SCHEMBL4721231

Cc1cc(COC2CCCCO2)cc(C(=O)c2occc2C(=O)O)c1

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ CREBBP Q92793 2/20 0.45
▸ EP300 Q09472 1/20 0.44
▸ MEN1 O00255 3/20 0.41
▸ KMT2A Q03164 3/20 0.41
▸ HTT P42858 2/20 0.36
▸ NPC1 O15118 1/20 0.36
▸ RAB9A P51151 1/20 0.36
▸ SMN1; SMN2 Q16637 1/20 0.36
▸ LMNA P02545 2/20 0.35
▸ ICAM1 P05362 1/20 0.35
▸ SELE P16581 1/20 0.35
▸ POLB P06746 1/20 0.34
▸ HSD17B10 Q99714 1/20 0.34
▸ GLA P06280 1/20 0.34
▸ MAPK1 P28482 1/20 0.34
▸ MRGPRX4 Q96LA9 2/20 0.34
▸ TP53 P04637 2/20 0.33
▸ APEX1 P27695 1/20 0.33
▸ ALDH1A1 P00352 2/20 0.33
▸ MAPT P10636 1/20 0.33

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
SCHEMBL4721279 0.80 CREBBP (0.52) CREBBPEP300MEN1KMT2ANPC1
SCHEMBL4309447 0.76 CREBBP (0.59) CREBBPEP300MEN1KMT2AICAM1
SCHEMBL4722474 0.75 CREBBP (0.42) CREBBPEP300MEN1KMT2ANPC1
SCHEMBL4505041 0.73 MEN1 (0.54) CREBBPEP300MEN1KMT2ANPC1
SCHEMBL4315290 0.71 CREBBP (0.58) CREBBPEP300MEN1KMT2ANPC1
SCHEMBL4723720 0.71 CREBBP (0.43) CREBBPEP300MEN1KMT2ANPC1
SCHEMBL14101943 0.71 CREBBP (0.44) CREBBPEP300MEN1KMT2ANPC1
SCHEMBL3811958 0.71 KMT2A (0.64) CREBBPEP300MEN1KMT2ANPC1
SCHEMBL3645168 0.71 CREBBP (0.52) CREBBPEP300MEN1KMT2AICAM1
SCHEMBL4312331 0.71 CREBBP (0.52) CREBBPEP300MEN1KMT2AHTT

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-1953147-A1 HETEROCYCLIC COMPOUND AND MEDICINAL APPLICATION THEREOF Japan Tobacco, Inc. (JP) 2008-08-06 — — EP disclosed
EP-1953147-A1 HETEROCYCLIC COMPOUND AND MEDICINAL APPLICATION THEREOF Japan Tobacco, Inc. (JP) 2008-08-06 — — EP disclosed
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