SCHEMBL9714934

SCHEMBL9714934

CCCCNc1n[nH]c(-c2ccccc2)c1CC(=O)OCCC

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TOP2A P11388 2/20 0.43
ALDH1A1 P00352 7/20 0.43
GLA P06280 1/20 0.43
KDM4E B2RXH2 6/20 0.42
LMNA P02545 3/20 0.42
HPGD P15428 3/20 0.42
CYP1A2 P05177 1/20 0.42
CYP3A4 P08684 1/20 0.42
CYP2C9 P11712 1/20 0.42
CYP2C19 P33261 1/20 0.42
TDP1 Q9NUW8 1/20 0.42
L3MBTL1 Q9Y468 1/20 0.42
HSD17B10 Q99714 4/20 0.39
MAPT P10636 2/20 0.39
MEN1 O00255 1/20 0.39
GBA1 P04062 1/20 0.39
KMT2A Q03164 1/20 0.39
SMN1; SMN2 Q16637 1/20 0.39
PDE5A O76074 1/20 0.39
ACP1 P24666 1/20 0.38

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
SCHEMBL9714952 0.85 LMNA (0.45) ALDH1A1GLAKDM4ELMNAHPGD
SCHEMBL9714922 0.79 ALDH1A1 (0.44) TOP2AALDH1A1KDM4ELMNAHPGD
SCHEMBL9714945 0.77 HSD17B10 (0.46) ALDH1A1KDM4ELMNAHPGDCYP1A2
SCHEMBL9715031 0.76 PTGDR2 (0.38) ALDH1A1KDM4EHPGDCYP1A2CYP3A4
SCHEMBL509233 0.70 LMNA (0.55) ALDH1A1KDM4ELMNAHPGDCYP1A2
SCHEMBL9714918 0.69 LMNA (0.54) ALDH1A1KDM4ELMNAHPGDCYP1A2
Hydrochloric Acid SCHEMBL9715094 0.69 LMNA (0.53) ALDH1A1KDM4ELMNAHPGDCYP1A2
SCHEMBL9714958 0.68 SMN1; SMN2 (0.46) ALDH1A1KDM4ELMNAHPGDCYP1A2
SCHEMBL9714927 0.67 RAB9A (0.44) ALDH1A1KDM4ETDP1L3MBTL1HSD17B10
SCHEMBL9739282 0.67 HTT (0.57) ALDH1A1KDM4ELMNACYP3A4CYP2C9

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