SCHEMBL17895733

SCHEMBL17895733

CCC(O)CCCc1nc2ccccc2s1

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ HTT P42858 2/20 0.56
▸ ALOX15 P16050 1/20 0.56
▸ SMN1; SMN2 Q16637 1/20 0.56
▸ LMNA P02545 1/20 0.49
▸ HTR1A P08908 1/20 0.48
▸ DRD2 P14416 1/20 0.48
▸ SLC6A4 P31645 1/20 0.48
▸ HTR7 P34969 1/20 0.48
▸ HPGD P15428 7/20 0.48
▸ RAB9A P51151 1/20 0.48
▸ UBE2T Q9NPD8 1/20 0.47
▸ ASIC3 Q9UHC3 1/20 0.47
▸ ALDH1A1 P00352 4/20 0.47
▸ POLB P06746 2/20 0.47
▸ ATM Q13315 1/20 0.47
▸ MEN1 O00255 1/20 0.47
▸ MAPT P10636 1/20 0.47
▸ KMT2A Q03164 1/20 0.47
▸ CYP1A2 P05177 2/20 0.47
▸ CYP2C19 P33261 2/20 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
SCHEMBL29690511 0.91 ALOX15 (0.51) HTTALOX15SMN1; SMN2LMNAHPGD
SCHEMBL25062714 0.85 SMN1; SMN2 (0.61) HTTALOX15SMN1; SMN2LMNAHTR1A
SCHEMBL26785759 0.82 ALOX15 (0.57) HTTALOX15SMN1; SMN2LMNAHTR1A
SCHEMBL29690521 0.82 UBE2T (0.53) HTTALOX15SMN1; SMN2HPGDRAB9A
SCHEMBL2034241 0.80 SMN1; SMN2 (0.62) HTTALOX15SMN1; SMN2LMNAHTR1A
SCHEMBL28822363 0.79 ALOX15 (0.55) HTTALOX15SMN1; SMN2LMNAHTR1A
SCHEMBL9641726 0.79 SMN1; SMN2 (0.70) HTTALOX15SMN1; SMN2LMNAHTR1A
SCHEMBL175532 0.79 ALOX15 (0.60) HTTALOX15SMN1; SMN2LMNAHTR1A
Benzene SCHEMBL28273759 0.79 SMN1; SMN2 (0.65) HTTALOX15SMN1; SMN2LMNAHTR1A
SCHEMBL31173766 0.79 ALOX15 (0.60) HTTALOX15SMN1; SMN2LMNAHTR1A

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
EP-3240778-A1 METHODS AND AGENTS FOR TREATING DISEASE Angion Biomedica Corp. (US) 2017-11-08 — — EP disclosed
WO-2016109492-A1 METHODS AND AGENTS FOR TREATING DISEASE ANGION BIOMEDICA CORP (US) 2016-07-07 — — WO disclosed
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