SCHEMBL11705281

SCHEMBL11705281

COCOC(=O)Cc1oc2cccc-2cc1-c1ccccc1

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
EGFR P00533 1/20 0.38
FABP4 P15090 1/20 0.38
SMN1; SMN2 Q16637 2/20 0.37
NQO2 P16083 1/20 0.36
PDE4B Q07343 1/20 0.36
PDE4D Q08499 1/20 0.36
PDE7A Q13946 1/20 0.36
PDE3A Q14432 1/20 0.36
PDE7B Q9NP56 1/20 0.36
ALDH1A1 P00352 2/20 0.35
NR4A1 P22736 1/20 0.35
NR4A2 P43354 1/20 0.35
NR4A3 Q92570 1/20 0.35
KDM4E B2RXH2 1/20 0.35
PTGS1 P23219 1/20 0.35
HPGD P15428 2/20 0.35
SLC9A1 P19634 1/20 0.35
CYP2D6 P10635 1/20 0.35
TP53 P04637 1/20 0.34
POLB P06746 1/20 0.34

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
SCHEMBL11704660 0.89 NQO2 (0.39) FABP4SMN1; SMN2NQO2ALDH1A1KDM4E
SCHEMBL11549033 0.88 SMN1; SMN2 (0.49) SMN1; SMN2ALDH1A1KDM4EHPGDTP53
SCHEMBL11705749 0.88 ACACA (0.44) FABP4SMN1; SMN2NQO2ALDH1A1NR4A1
SCHEMBL11560133 0.81 PTGS1 (0.45) FABP4NQO2ALDH1A1NR4A1NR4A2
SCHEMBL11705124 0.78 ALDH1A1 (0.43) FABP4NQO2ALDH1A1NR4A1NR4A2
SCHEMBL11702889 0.77 ALDH1A1 (0.49) SMN1; SMN2PDE3AALDH1A1KDM4EPTGS1
SCHEMBL11703325 0.76 HDAC8 (0.44) FABP4NQO2ALDH1A1KDM4ETP53
SCHEMBL11706034 0.75 KDM4E (0.40) FABP4NQO2ALDH1A1KDM4EPOLB
SCHEMBL11554193 0.73 NR4A1 (0.44) FABP4SMN1; SMN2NQO2ALDH1A1NR4A1
SCHEMBL11706498 0.73 CA2 (0.39) FABP4ALDH1A1NR4A1NR4A2NR4A3

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-4013692-A ANTIINFLAMMATORY, ANTIPYRETICS, ANALGESICS RIKER LABORATORIES, INC. (US) 1977-03-22 US claimed
US-4013692-A ANTIINFLAMMATORY, ANTIPYRETICS, ANALGESICS RIKER LABORATORIES, INC. (US) 1977-03-22 US disclosed