SCHEMBL8683092

SCHEMBL8683092

CCC#CCN1N=C(c2ccccc2OC)CCC1=O

nearest known ligand 0.45

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
POLB P06746 1/20 0.45
PDE4B Q07343 9/20 0.45
PDE4D Q08499 3/20 0.45
PDE3A Q14432 2/20 0.45
PDE4A P27815 2/20 0.45
PDE4C Q08493 2/20 0.45
PDE3B Q13370 1/20 0.45
PDCD1 Q15116 1/20 0.42
CD274 Q9NZQ7 1/20 0.42
PDE5A O76074 1/20 0.40
LMNA P02545 1/20 0.37
TP53 P04637 1/20 0.37
MEN1 O00255 1/20 0.36
KMT2A Q03164 1/20 0.36
CRBN Q96SW2 1/20 0.35
CYP11B1 P15538 1/20 0.35
CYP11B2 P19099 1/20 0.35

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
SCHEMBL8685391 0.86 TP53 (0.38) POLBPDE4BPDE4DPDE3APDE4A
SCHEMBL8301452 0.83 ALDH1A1 (0.42) POLBPDE4BPDE4DPDE3APDE4A
SCHEMBL8301248 0.83 ALDH1A1 (0.42) PDE4BPDE4DPDE3APDE4APDE4C
SCHEMBL8684788 0.79 PDE4B (0.54) POLBPDE4BPDE4DPDE3APDE4A
SCHEMBL8683527 0.77 PDE4B (0.54) PDE4BPDE4DPDE3APDE4APDE4C
SCHEMBL8685293 0.77 PDE4B (0.46) POLBPDE4BPDE4DPDE3APDE4A
SCHEMBL8685264 0.75 TP53 (0.48) POLBPDE4BPDE4DPDE3APDE4A
SCHEMBL12989008 0.75 PDCD1 (0.50) POLBPDE4BPDE4DPDE3APDE4A
SCHEMBL8304842 0.72 PGR (0.46) PDE4BPDE4DPDE3APDE4APDE4C
SCHEMBL8303966 0.71 TP53 (0.43) POLBPDE4BPDE4DPDE3APDE4A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-5753642-A AGRICULTURE, MEDICINE ROHM AND HAAS COMPANY (US) 1998-05-19 US disclosed
US-5728698-A AGRICULTURAL USE, RICE, WHEAT ROHM AND HAAS COMPANY (US) 1998-03-17 US disclosed
US-5728715-A FOR MAMMALS, AGRICULTURE, RICE, WHEAT, TOMATOES ROHM AND HAAS COMPANY (US) 1998-03-17 US disclosed
US-5728694-A Dihydropyridazinones, pyridazinones and related compounds as fungicides ROHM AND HAAS COMPANY (US) 1998-03-17 US disclosed
US-5726162-A FOR CONTROLLING AGRICULTURAL AND MAMMALIAN FUNGAL DISEASES ROHM AND HAAS COMPANY (US) 1998-03-10 US disclosed
US-5726176-A FOR CONTROLLING AGRICULTURAL AND MAMMALIAN FUNGAL DISEASES ROHM AND HAAS COMPANY (US) 1998-03-10 US disclosed
US-5631254-A RICE; HUMAN INFECTIONS ROHM AND HAAS COMPANY (US) 1997-05-20 US disclosed
US-5552409-A PHYTOPATHOGENIC, RICE ROHM AND HAAS COMPANY (US) 1996-09-03 US disclosed
EP-0478195-A1 Dihydropyridazinones, pyridazinones and related compounds as fungicides ROHM AND HAAS COMPANY (US) 1992-04-01 EP disclosed