SCHEMBL9714952

SCHEMBL9714952

CCCCNc1n[nH]c(-c2ccc(Cl)cc2)c1CC(=O)OCCCC

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LMNA P02545 2/20 0.45
TP53 P04637 1/20 0.45
MAPT P10636 1/20 0.45
POLB P06746 1/20 0.43
RAB9A P51151 1/20 0.41
PTGS2 P35354 5/20 0.41
ALDH1A1 P00352 4/20 0.40
HPGD P15428 1/20 0.40
PPARG P37231 1/20 0.40
NCOA2 Q15596 1/20 0.40
NCOA1 Q15788 1/20 0.40
NPSR1 Q6W5P4 1/20 0.40
RXFP1 Q9HBX9 1/20 0.40
NCOA3 Q9Y6Q9 1/20 0.40
TDP1 Q9NUW8 1/20 0.40
L3MBTL1 Q9Y468 1/20 0.40
CNR1 P21554 1/20 0.39
MEN1 O00255 1/20 0.38
KMT2A Q03164 1/20 0.38
TLR7 Q9NYK1 2/20 0.37

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
SCHEMBL9715031 0.86 PTGDR2 (0.38) TP53MAPTPOLBRAB9AALDH1A1
SCHEMBL9714934 0.85 TOP2A (0.43) LMNATP53MAPTALDH1A1HPGD
SCHEMBL9714927 0.83 RAB9A (0.44) TP53POLBRAB9APTGS2ALDH1A1
SCHEMBL9715038 0.81 L3MBTL1 (0.43) POLBRAB9APTGS2ALDH1A1HPGD
Hydrochloric Acid SCHEMBL9714943 0.80 L3MBTL1 (0.45) POLBRAB9APTGS2ALDH1A1HPGD
SCHEMBL9714958 0.73 SMN1; SMN2 (0.46) LMNAMAPTRAB9AALDH1A1HPGD
SCHEMBL9739282 0.72 HTT (0.57) LMNAMAPTRAB9APTGS2ALDH1A1
SCHEMBL9714945 0.71 HSD17B10 (0.46) LMNAPOLBALDH1A1HPGDNPSR1
SCHEMBL9714924 0.71 HSD17B10 (0.41) LMNAMAPTALDH1A1HPGDMEN1
Hydrochloric Acid SCHEMBL9714991 0.70 HSD17B10 (0.40) LMNAMAPTALDH1A1HPGDMEN1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-1992018484-A1 3-AMINO-5-ARYLPYRAZOLE-4-ACETIC ACID DERIVATIVES EXHIBITING THERAPEUTIC EFFECTS A.H. ROBINS COMPANY, INCORPORATED (US) 1992-10-29 WO claimed
US-5057534-A Anxiolytic, anticonfulsant and muscle relaxants A. H. ROBINS COMPANY INCORPORATED (US) 1991-10-15 US claimed
WO-1992018484-A1 3-AMINO-5-ARYLPYRAZOLE-4-ACETIC ACID DERIVATIVES EXHIBITING THERAPEUTIC EFFECTS A.H. ROBINS COMPANY, INCORPORATED (US) 1992-10-29 WO disclosed
US-5057534-A Anxiolytic, anticonfulsant and muscle relaxants A. H. ROBINS COMPANY INCORPORATED (US) 1991-10-15 US disclosed