SCHEMBL17860078

SCHEMBL17860078

N#Cc1ccc(-c2ccc(OC(=O)CCCCCCCC(=O)Oc3ccc(F)cc3)cc2F)cc1

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ HDAC1 Q13547 2/20 0.43
▸ HDAC2 Q92769 2/20 0.43
▸ KMT2A Q03164 2/20 0.42
▸ ALDH1A1 P00352 1/20 0.42
▸ HSD17B10 Q99714 1/20 0.42
▸ MMP3 P08254 2/20 0.41
▸ HTR1A P08908 2/20 0.40
▸ DRD2 P14416 2/20 0.40
▸ HTR7 P34969 2/20 0.40
▸ HTR6 P50406 2/20 0.40
▸ MMP2 P08253 2/20 0.40
▸ CHRM2 P08172 1/20 0.39
▸ CHRM1 P11229 1/20 0.39
▸ CHRM3 P20309 1/20 0.39
▸ SMN1; SMN2 Q16637 1/20 0.39
▸ MGLL Q99685 2/20 0.38
▸ KDM1A O60341 2/20 0.38
▸ MMP1 P03956 1/20 0.38
▸ MMP9 P14780 1/20 0.38
▸ MMP13 P45452 1/20 0.38

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
SCHEMBL17971135 1.00 HDAC1 (0.43) HDAC1HDAC2KMT2AALDH1A1HSD17B10
SCHEMBL16848626 0.99 HDAC1 (0.45) HDAC1HDAC2KMT2AALDH1A1HSD17B10
SCHEMBL16848628 0.99 HDAC1 (0.45) HDAC1HDAC2KMT2AALDH1A1HSD17B10
SCHEMBL16848624 0.99 HDAC1 (0.45) HDAC1HDAC2KMT2AALDH1A1HSD17B10
SCHEMBL16848629 0.97 HDAC1 (0.42) HDAC1HDAC2KMT2AALDH1A1HSD17B10
SCHEMBL16748118 0.97 HDAC1 (0.42) HDAC1HDAC2KMT2AALDH1A1HSD17B10
SCHEMBL16848638 0.97 HDAC1 (0.42) HDAC1HDAC2KMT2AALDH1A1HSD17B10
SCHEMBL16848619 0.95 HDAC1 (0.46) HDAC1HDAC2KMT2AALDH1A1MMP3
SCHEMBL16848616 0.95 HDAC1 (0.46) HDAC1HDAC2KMT2AALDH1A1MMP3
SCHEMBL16848617 0.95 HDAC1 (0.46) HDAC1HDAC2KMT2AALDH1A1MMP3

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3234689-B1 LIGHT MODULATION ELEMENT MERCK PATENT GMBH (DE) 2020-01-29 — — EP disclosed
US-20170351130-A1 LIGHT MODULATION ELEMENT MERCK PATENT GMBH (DE) 2017-12-07 — — US disclosed
US-20170351130-A1 LIGHT MODULATION ELEMENT MERCK PATENT GMBH (DE) 2017-12-07 — — US disclosed
WO-2016096076-A1 LIGHT MODULATION ELEMENT MERCK PATENT GMBH (DE) 2016-06-23 — — WO disclosed
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