SCHEMBL8685337

SCHEMBL8685337

CCC#CCN1N=C(c2ccc3c(c2)OCO3)CCC1=O

nearest known ligand 0.48

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 2/20 0.46
PDE3B Q13370 3/20 0.44
PDE3A Q14432 3/20 0.44
MEN1 O00255 1/20 0.42
KMT2A Q03164 1/20 0.42
PDE4B Q07343 4/20 0.39
PDE4D Q08499 3/20 0.39
PDE4A P27815 2/20 0.39
PDE4C Q08493 2/20 0.39
MAPT P10636 1/20 0.38
TSHR P16473 1/20 0.38
TP53 P04637 1/20 0.37
ACHE P22303 1/20 0.37
ADORA3 P0DMS8 1/20 0.37
ADORA1 P30542 1/20 0.37
RAB9A P51151 2/20 0.36
KDM4E B2RXH2 1/20 0.36
NPC1 O15118 1/20 0.36
BRD4 O60885 1/20 0.36

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
SCHEMBL8302675 0.81 PGR (0.51) ALDH1A1PDE3BPDE3AMEN1KMT2A
SCHEMBL8300270 0.81 PDE4B (0.41) ALDH1A1PDE3BPDE3AMEN1KMT2A
SCHEMBL8300262 0.79 RAB9A (0.53) ALDH1A1MEN1KMT2AMAPTTP53
SCHEMBL8688192 0.79 PDE4B (0.39) ALDH1A1PDE3BPDE3AMEN1KMT2A
SCHEMBL8304842 0.79 PGR (0.46) ALDH1A1PDE3BPDE3AMEN1KMT2A
SCHEMBL8300275 0.79 TP53 (0.46) ALDH1A1PDE3BPDE3AMEN1KMT2A
SCHEMBL8300858 0.78 ALDH1A1 (0.44) ALDH1A1PDE3BPDE3AMEN1KMT2A
SCHEMBL8684788 0.78 PDE4B (0.54) PDE3BPDE3APDE4BPDE4DPDE4A
SCHEMBL8303966 0.78 TP53 (0.43) ALDH1A1PDE3BPDE3AMEN1KMT2A
SCHEMBL8683527 0.76 PDE4B (0.54) ALDH1A1PDE3BPDE3APDE4BPDE4D

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