SCHEMBL8396377

SCHEMBL8396377

O=S(=O)(NCC1CCCCCC1)c1ccccc1

nearest known ligand 0.83

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
GBA1 P04062 1/20 0.83
KMT2A Q03164 4/20 0.70
ALDH1A1 P00352 3/20 0.68
PKM P14618 1/20 0.68
SMN1; SMN2 Q16637 2/20 0.62
CTSL P07711 3/20 0.61
CTSK P43235 3/20 0.61
CTSB P07858 2/20 0.61
MEN1 O00255 3/20 0.57
POLB P06746 2/20 0.54
PARG Q86W56 1/20 0.54
BCL2L1 Q07817 1/20 0.53
MCL1 Q07820 1/20 0.53
KEAP1 Q14145 1/20 0.53

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
SCHEMBL7886816 1.00 GBA1 (0.83) GBA1KMT2AALDH1A1PKMSMN1; SMN2
SCHEMBL8394068 0.98 GBA1 (0.86) GBA1KMT2AALDH1A1PKMSMN1; SMN2
SCHEMBL3811045 0.95 GBA1 (0.86) GBA1KMT2AALDH1A1PKMSMN1; SMN2
SCHEMBL2470122 0.91 GBA1 (1.00) GBA1KMT2AALDH1A1PKMSMN1; SMN2
SCHEMBL8397048 0.83 GBA1 (0.58) GBA1KMT2AALDH1A1PKMSMN1; SMN2
SCHEMBL9834675 0.83 GBA1 (0.78) GBA1KMT2AALDH1A1PKMCTSL
SCHEMBL8391910 0.83 GBA1 (0.58) GBA1KMT2AALDH1A1PKMSMN1; SMN2
SCHEMBL14606609 0.83 GBA1 (0.84) GBA1KMT2AALDH1A1PKMSMN1; SMN2
SCHEMBL7699722 0.83 KMT2A (0.68) GBA1KMT2AALDH1A1SMN1; SMN2MEN1
SCHEMBL13543087 0.83 GBA1 (0.78) GBA1KMT2AALDH1A1PKMCTSL

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-5864043-A CARDIOVASCULAR DISORDERS AND ANGIOTENSIN ANTAGONIST KARL THOMAE GMBH (DE) 1999-01-26 US disclosed
US-5541229-A ANGIOITENSIN II ANTAGONIST AS HYPOTENSIVE AGENTS, ANTIISCHEMIC AGENTS AND CARDIOVASCULAR DISORDERS DR. KARL THOMAE GMBH (DE) 1996-07-30 US disclosed