SCHEMBL7582286

SCHEMBL7582286

CSCc1cc(C(=O)CC(=O)C2CC2)ccc1Cl

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HPGD P15428 2/20 0.40
POLB P06746 2/20 0.40
ATM Q13315 1/20 0.38
HDAC3 O15379 2/20 0.36
HDAC4 P56524 2/20 0.36
HDAC1 Q13547 2/20 0.36
HDAC7 Q8WUI4 2/20 0.36
HDAC2 Q92769 2/20 0.36
HDAC10 Q969S8 2/20 0.36
HDAC11 Q96DB2 2/20 0.36
HDAC8 Q9BY41 2/20 0.36
HDAC6 Q9UBN7 2/20 0.36
HDAC9 Q9UKV0 2/20 0.36
HDAC5 Q9UQL6 2/20 0.36
ALDH1A1 P00352 1/20 0.35
LMNA P02545 1/20 0.35
AGTR1 P30556 1/20 0.35
SMN1; SMN2 Q16637 2/20 0.34
SLC6A4 P31645 1/20 0.34
SLC6A3 Q01959 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
SCHEMBL8729661 0.81 ATM (0.39) HPGDATMHDAC3HDAC4HDAC1
SCHEMBL4243119 0.81 KMT2A (0.40) HPGDPOLBATMALDH1A1LMNA
SCHEMBL8100211 0.80 ATM (0.51) HPGDPOLBATMALDH1A1LMNA
SCHEMBL7578086 0.75 ALDH1A1 (0.51) HPGDATMALDH1A1LMNASMN1; SMN2
SCHEMBL8724610 0.74 ERCC5 (0.38) HPGDALDH1A1LMNASMN1; SMN2KMT2A
SCHEMBL17895439 0.73 TAS1R3 (0.48) ATMALDH1A1SMN1; SMN2KMT2AMEN1
SCHEMBL8726663 0.72 HPGD (0.38) HPGDPOLBALDH1A1LMNASMN1; SMN2
SCHEMBL7574482 0.72 HPGD (0.33) HPGDPOLBALDH1A1SMN1; SMN2KMT2A
SCHEMBL8724282 0.72 KMT2A (0.33) HPGDLMNASMN1; SMN2KMT2AMEN1
SCHEMBL19806639 0.72 ERCC5 (0.55) POLBALDH1A1LMNAKMT2AMEN1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0609798-B1 4-Benzoyl isoxazoles and their use as herbicides AVENTIS AGRICULTURE LTD (GB) 2002-10-02 EP disclosed
US-5374606-A Pre- and postemergence RHONE-POULENC AGRICULTURE LIMITED (GB) 1994-12-20 US disclosed
EP-0609798-A1 4-Benzoyl isoxazoles and their use as herbicides RHONE POULENC AGRICULTURE LTD. (GB) 1994-08-10 EP disclosed