SCHEMBL14997400

SCHEMBL14997400

C[C@@H](C=O)NC(=O)CCCc1ccccc1

nearest known ligand 0.72

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ SMN1; SMN2 Q16637 2/20 0.67
▸ HPGD P15428 1/20 0.60
▸ LMNA P02545 2/20 0.57
▸ PKM P14618 1/20 0.57
▸ HDAC1 Q13547 4/20 0.57
▸ HDAC2 Q92769 3/20 0.57
▸ HDAC3 O15379 2/20 0.57
▸ HDAC8 Q9BY41 2/20 0.57
▸ HDAC6 Q9UBN7 2/20 0.57
▸ HDAC5 Q9UQL6 2/20 0.57
▸ ALDH1A1 P00352 1/20 0.53
▸ KMT2A Q03164 1/20 0.53
▸ ALOX5 P09917 1/20 0.50
▸ MAPK1 P28482 1/20 0.50
▸ ADRA1A P35348 1/20 0.50
▸ HDAC4 P56524 1/20 0.50
▸ SLC6A3 Q01959 1/20 0.50
▸ HDAC7 Q8WUI4 1/20 0.50
▸ HDAC10 Q969S8 1/20 0.50
▸ HDAC11 Q96DB2 1/20 0.50

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
SCHEMBL14997425 1.00 SMN1; SMN2 (0.67) SMN1; SMN2HPGDLMNAPKMHDAC1
SCHEMBL19791859 0.91 HDAC2 (0.54) SMN1; SMN2HPGDLMNAHDAC1HDAC2
SCHEMBL8241511 0.84 SMN1; SMN2 (0.74) SMN1; SMN2HPGDLMNAPKMHDAC1
SCHEMBL6136527 0.81 SMN1; SMN2 (0.70) SMN1; SMN2HPGDLMNAPKMHDAC1
SCHEMBL14997395 0.81 SMN1; SMN2 (0.70) SMN1; SMN2HPGDLMNAPKMHDAC1
SCHEMBL6136522 0.81 SMN1; SMN2 (0.70) SMN1; SMN2HPGDLMNAPKMHDAC1
SCHEMBL3024846 0.81 POLB (0.59) HPGDALDH1A1KMT2A
SCHEMBL3024849 0.81 POLB (0.59) HPGDALDH1A1KMT2A
SCHEMBL10725495 0.81 CTSB (0.57) SMN1; SMN2HPGDLMNAPKMHDAC1
SCHEMBL12890603 0.80 SMN1; SMN2 (0.68) SMN1; SMN2HPGDLMNAPKMHDAC1

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-2599767-A1 Phenylbutyl-derivatives Lunamed AG (CH) 2013-06-05 — — EP disclosed
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