SCHEMBL7303703

SCHEMBL7303703

O=C(C[C@@H](Cc1ccccc1)C(=O)O)NCCCN1CCCC1

nearest known ligand 0.59

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 1/20 0.59
LMNA P02545 1/20 0.52
ACHE P22303 1/20 0.51
TSHR P16473 2/20 0.49
TP53 P04637 2/20 0.49
CYP1A2 P05177 1/20 0.49
CYP3A4 P08684 1/20 0.49
CYP2D6 P10635 1/20 0.49
TDP1 Q9NUW8 1/20 0.49
MAPK1 P28482 1/20 0.48
CPA1 P15085 2/20 0.48
CPB1 P15086 1/20 0.48
CPA3 P15088 1/20 0.48
CPB2 Q96IY4 1/20 0.48
GAA P10253 1/20 0.47
SMN1; SMN2 Q16637 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
SCHEMBL7288415 0.90 MAPK1 (0.62) ALDH1A1LMNAMAPK1SMN1; SMN2
SCHEMBL7298841 0.78 KMT2A (0.48) ALDH1A1LMNACYP1A2CPA1CPB1
SCHEMBL14543840 0.78 OPRL1 (0.66) ALDH1A1TSHRTP53CYP1A2CYP3A4
SCHEMBL9554486 0.77 CPA1 (0.60) LMNATSHRCYP1A2CYP3A4CPA1
SCHEMBL9554490 0.77 CPA1 (0.60) LMNATSHRCYP1A2CYP3A4CPA1
SCHEMBL15109569 0.77 HRH3 (0.65) ALDH1A1LMNAACHETSHRCYP3A4
SCHEMBL7280897 0.77 SMN1; SMN2 (0.61) ALDH1A1LMNATSHRSMN1; SMN2
SCHEMBL2804430 0.76 CPA1 (0.63) LMNACYP1A2CPA1CPB1CPA3
SCHEMBL6248582 0.76 TACR2 (0.65) TSHRTP53CYP1A2CYP3A4CYP2D6
SCHEMBL10720789 0.74 ALDH1A1 (1.00) ALDH1A1MAPK1GAA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-5063208-A Cardiovascular disorders, vision defects ABBOTT LABORATORIES (US) 1991-11-05 US disclosed
EP-0410260-A2 Peptidyl aminodiol renin inhibitors ABBOTT LABORATORIES (US) 1991-01-30 EP disclosed