SCHEMBL9325965

SCHEMBL9325965

O=C(O)CCCc1ccc(NS(=O)(=O)c2ccc(Cl)cc2)cc1

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 1/20 0.64
HDAC1 Q13547 4/20 0.61
HDAC8 Q9BY41 3/20 0.61
CES1 P23141 1/20 0.59
PRMT1 Q99873 1/20 0.59
POLB P06746 1/20 0.55
TDP1 Q9NUW8 1/20 0.55
HTT P42858 1/20 0.54
HDAC4 P56524 2/20 0.53
TBXA2R P21731 2/20 0.53
HDAC3 O15379 1/20 0.53
HDAC7 Q8WUI4 1/20 0.53
HDAC2 Q92769 1/20 0.53
HDAC10 Q969S8 1/20 0.53
HDAC11 Q96DB2 1/20 0.53
HDAC6 Q9UBN7 1/20 0.53
HDAC9 Q9UKV0 1/20 0.53
HDAC5 Q9UQL6 1/20 0.53
TBXAS1 P24557 1/20 0.53
PTGDR2 Q9Y5Y4 1/20 0.52

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
SCHEMBL2692935 0.87 HDAC1 (0.78) ALDH1A1HDAC1HDAC8POLBTDP1
SCHEMBL9326251 0.86 ALDH1A1 (0.85) ALDH1A1HDAC1HDAC8POLBTDP1
SCHEMBL9324159 0.86 HDAC1 (0.64) ALDH1A1HDAC1HDAC8POLBTDP1
SCHEMBL10460529 0.84 ALDH1A1 (0.72) ALDH1A1TBXA2RTBXAS1
SCHEMBL2691131 0.83 HDAC1 (0.78) ALDH1A1HDAC1HDAC8POLBTDP1
SCHEMBL9325241 0.83 ALDH1A1 (0.63) ALDH1A1HDAC1HDAC8POLBTDP1
SCHEMBL5120002 0.82 SLC10A6 (0.62) PRMT1
SCHEMBL3558356 0.82 WDR5 (0.63) ALDH1A1HDAC1HDAC8CES1PRMT1
SCHEMBL27812546 0.82 FFAR1 (0.74) ALDH1A1CES1PRMT1POLBTDP1
SCHEMBL9656043 0.81 TBXAS1 (0.51) ALDH1A1CES1PRMT1TBXA2RTBXAS1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-5280043-A Sulphonamido containing phenylalkanoic acids as thromboxane A2 antagonists SMITH KLINE & FRENCH LABORATORIES LTD. (GB) 1994-01-18 US claimed
EP-0365183-B1 BIOLOGICALLY ACTIVE COMPOUNDS SMITH KLINE & FRENCH LABORATORIES LIMITED (GB) 1993-02-10 EP claimed
EP-0365183-A1 Biologically active compounds SMITH KLINE & FRENCH LABORATORIES LIMITED (GB) 1990-04-25 EP claimed
US-5280043-A Sulphonamido containing phenylalkanoic acids as thromboxane A2 antagonists SMITH KLINE & FRENCH LABORATORIES LTD. (GB) 1994-01-18 US disclosed
EP-0365183-B1 BIOLOGICALLY ACTIVE COMPOUNDS SMITH KLINE & FRENCH LABORATORIES LIMITED (GB) 1993-02-10 EP disclosed
EP-0365183-A1 Biologically active compounds SMITH KLINE & FRENCH LABORATORIES LIMITED (GB) 1990-04-25 EP disclosed