SCHEMBL8685264

SCHEMBL8685264

CCC#CCN1N=C(c2ccc(Oc3ccccc3)cc2)CCC1=O

nearest known ligand 0.48

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
TP53 P04637 4/20 0.48
LMNA P02545 3/20 0.48
PDE4A P27815 1/20 0.44
PDE4B Q07343 1/20 0.44
PDE4C Q08493 1/20 0.44
PDE4D Q08499 1/20 0.44
PDE3B Q13370 1/20 0.44
PDE3A Q14432 1/20 0.44
THRB P10828 1/20 0.44
ALDH1A1 P00352 2/20 0.43
MEN1 O00255 1/20 0.43
KMT2A Q03164 1/20 0.43
POLB P06746 2/20 0.42
HRH3 Q9Y5N1 1/20 0.42
MAPT P10636 1/20 0.42
PGR P06401 1/20 0.41

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
SCHEMBL8300262 0.82 RAB9A (0.53) TP53LMNATHRBALDH1A1MEN1
SCHEMBL8685293 0.81 PDE4B (0.46) TP53LMNAPDE4APDE4BPDE4C
SCHEMBL8300275 0.76 TP53 (0.46) TP53LMNAPDE4APDE4BPDE4C
SCHEMBL8300270 0.76 PDE4B (0.41) TP53PDE4APDE4BPDE4CPDE4D
SCHEMBL8302675 0.76 PGR (0.51) TP53PDE4APDE4BPDE4CPDE4D
SCHEMBL8304842 0.76 PGR (0.46) TP53LMNAPDE4APDE4BPDE4C
SCHEMBL8684788 0.76 PDE4B (0.54) PDE4APDE4BPDE4CPDE4DPDE3B
SCHEMBL11400122 0.76 HRH3 (0.50) TP53LMNAPDE4APDE4BPDE4C
SCHEMBL8685391 0.76 TP53 (0.38) TP53LMNAPDE4APDE4BPDE4C
SCHEMBL8299058 0.76 MEN1 (0.56) TP53LMNAPDE4APDE4BPDE4C

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-5728694-A Dihydropyridazinones, pyridazinones and related compounds as fungicides ROHM AND HAAS COMPANY (US) 1998-03-17 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-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