SCHEMBL9740855

SCHEMBL9740855

O=C1C/C(=C\c2cccc3ccccc23)C(=O)O1

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 2/20 0.49
MAPT P10636 2/20 0.49
HTT P42858 2/20 0.49
LMNA P02545 1/20 0.49
SMN1; SMN2 Q16637 1/20 0.49
NPSR1 Q6W5P4 1/20 0.49
ACHE P22303 1/20 0.47
KMT2A Q03164 3/20 0.47
MEN1 O00255 2/20 0.47
AKR1B1 P15121 2/20 0.47
TTR P02766 1/20 0.47
PIM1 P11309 1/20 0.44
SIRT1 Q96EB6 2/20 0.44
SIRT2 Q8IXJ6 1/20 0.44
APP P05067 1/20 0.41
GLA P06280 2/20 0.40
POLB P06746 1/20 0.40
RXRA P19793 1/20 0.38
PKM P14618 1/20 0.37
KDM4E B2RXH2 2/20 0.37

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
SCHEMBL7328466 1.00 ALDH1A1 (0.49) ALDH1A1MAPTHTTLMNASMN1; SMN2
SCHEMBL7328464 1.00 ALDH1A1 (0.49) ALDH1A1MAPTHTTLMNASMN1; SMN2
SCHEMBL7273033 0.86 ALDH1A1 (0.51) ALDH1A1MAPTHTTLMNASMN1; SMN2
SCHEMBL9046126 0.77 IKBKB (0.58) ALDH1A1MAPTACHENPC1RAB9A
SCHEMBL9047619 0.77 KDM4E (0.51) ALDH1A1MAPTSMN1; SMN2ACHEKMT2A
SCHEMBL9047611 0.77 KDM4E (0.51) ALDH1A1MAPTSMN1; SMN2ACHEKMT2A
SCHEMBL9047790 0.77 DYRK2 (0.56) ALDH1A1MAPTHTTNPSR1ACHE
SCHEMBL9047786 0.77 DYRK2 (0.56) ALDH1A1MAPTHTTNPSR1ACHE
SCHEMBL9046118 0.77 IKBKB (0.58) ALDH1A1MAPTACHENPC1RAB9A
SCHEMBL7170445 0.76 ALDH1A1 (0.66) ALDH1A1MAPTHTTLMNASMN1; SMN2

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
US-5104869-A Renin inhibitors AMERICAN CYANAMID COMPANY (US) 1992-04-14 US disclosed
EP-0427939-A2 Renin inhibitors AMERICAN CYANAMID COMPANY (US) 1991-05-22 EP disclosed