SCHEMBL8301337

SCHEMBL8301337

O=C(Cl)CCCc1cccc(Cl)c1

nearest known ligand 0.58

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
PLAAT3 P53816 2/20 0.58
PLAAT5 Q96KN8 2/20 0.58
PLAAT2 Q9NWW9 2/20 0.58
PLAAT4 Q9UL19 2/20 0.58
HTR3E A5X5Y0 1/20 0.53
HTR3B O95264 1/20 0.53
HTR3A P46098 1/20 0.53
HTR3D Q70Z44 1/20 0.53
HTR3C Q8WXA8 1/20 0.53
SMN1; SMN2 Q16637 2/20 0.52
TAAR1 Q96RJ0 4/20 0.52
ALDH1A1 P00352 3/20 0.51
KMT2A Q03164 2/20 0.51
NAAA Q02083 2/20 0.50
MEN1 O00255 1/20 0.49
HPGD P15428 1/20 0.49
GRM2 Q14416 1/20 0.48
GRM3 Q14832 1/20 0.48
CNR1 P21554 1/20 0.47

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
SCHEMBL19612688 0.95 NAAA (0.56) PLAAT3PLAAT5PLAAT2PLAAT4HTR3E
SCHEMBL19612671 0.93 NAAA (0.56) PLAAT3PLAAT5PLAAT2PLAAT4HTR3E
SCHEMBL3252805 0.89 PLAAT3 (0.55) PLAAT3PLAAT5PLAAT2PLAAT4HTR3E
SCHEMBL27472305 0.87 PLAAT3 (0.60) PLAAT3PLAAT5PLAAT2PLAAT4HTR3E
SCHEMBL5024832 0.86 SMN1; SMN2 (0.68) PLAAT3PLAAT5PLAAT2PLAAT4HTR3E
SCHEMBL3891167 0.84 PLAAT3 (0.57) PLAAT3PLAAT5PLAAT2PLAAT4HTR3E
SCHEMBL8170713 0.81 NAAA (0.58) PLAAT3PLAAT5PLAAT2PLAAT4HTR3E
SCHEMBL7829175 0.81 SMN1; SMN2 (0.67) PLAAT3PLAAT5PLAAT2PLAAT4HTR3E
SCHEMBL11701911 0.81 TAAR1 (0.50) PLAAT3PLAAT5PLAAT2PLAAT4SMN1; SMN2
SCHEMBL8084064 0.81 TAAR1 (0.50) SMN1; SMN2TAAR1NAAACNR1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0478195-B1 Dihydropyridazinones and pyridazinones as fungicides ROHM & HAAS (US) 1999-05-26 EP disclosed
US-5753642-A AGRICULTURE, MEDICINE ROHM AND HAAS COMPANY (US) 1998-05-19 US disclosed
US-5728715-A FOR MAMMALS, AGRICULTURE, RICE, WHEAT, TOMATOES 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-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