SCHEMBL8392017

SCHEMBL8392017

O=S(=O)(NCCCC1CCCCCC1)c1ccccc1

nearest known ligand 0.60

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 6/20 0.60
PKM P14618 2/20 0.60
KDM4E B2RXH2 1/20 0.60
LMNA P02545 1/20 0.60
SMN1; SMN2 Q16637 1/20 0.60
GBA1 P04062 1/20 0.55
MAPK1 P28482 2/20 0.51
TSHR P16473 1/20 0.51
TBXA2R P21731 1/20 0.50
KDM1A O60341 1/20 0.49
MAOA P21397 1/20 0.49
MAOB P27338 1/20 0.49
KMT2A Q03164 1/20 0.49
PPARG P37231 1/20 0.48
SIGMAR1 Q99720 1/20 0.48
KEAP1 Q14145 1/20 0.47
HTR7 P34969 1/20 0.47
BMP1 P13497 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
SCHEMBL6623889 1.00 ALDH1A1 (0.60) ALDH1A1PKMKDM4ELMNASMN1; SMN2
SCHEMBL8392223 0.98 ALDH1A1 (0.62) ALDH1A1PKMKDM4ELMNASMN1; SMN2
SCHEMBL8394130 0.95 ALDH1A1 (0.62) ALDH1A1PKMKDM4ELMNASMN1; SMN2
SCHEMBL8395503 0.92 ALDH1A1 (0.66) ALDH1A1PKMKDM4ELMNASMN1; SMN2
SCHEMBL8397048 0.91 GBA1 (0.58) ALDH1A1PKMKDM4ELMNASMN1; SMN2
SCHEMBL8391910 0.91 GBA1 (0.58) ALDH1A1PKMKDM4ELMNASMN1; SMN2
SCHEMBL8393373 0.89 GBA1 (0.60) ALDH1A1PKMKDM4ELMNASMN1; SMN2
SCHEMBL8391575 0.86 GBA1 (0.60) ALDH1A1PKMKDM4ELMNASMN1; SMN2
SCHEMBL8394585 0.82 GBA1 (0.69) ALDH1A1PKMKDM4ELMNASMN1; SMN2
SCHEMBL29183284 0.82 ALDH1A1 (0.67) ALDH1A1PKMLMNASMN1; SMN2KMT2A

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