SCHEMBL8375100

SCHEMBL8375100

O=S(=O)(O)CCCOc1c[c]c[c]c1

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 2/20 0.38
LMNA P02545 2/20 0.38
POLB P06746 2/20 0.38
RAB9A P51151 2/20 0.38
SMN1; SMN2 Q16637 2/20 0.38
NPC1 O15118 1/20 0.38
MAPT P10636 1/20 0.38
ALOX15 P16050 1/20 0.38
BRCA1 P38398 1/20 0.38
HTT P42858 1/20 0.38
KDM4E B2RXH2 1/20 0.38
GMNN O75496 1/20 0.38
PKM P14618 1/20 0.38
THPO P40225 1/20 0.38
MTOR P42345 1/20 0.38
RECQL P46063 1/20 0.38
BLM P54132 1/20 0.38
HIF1A Q16665 1/20 0.38
LTA4H P09960 1/20 0.35
APP P05067 1/20 0.34

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
SCHEMBL9768771 0.80 ALDH1A1 (0.38) ALDH1A1LMNAPOLBRAB9ASMN1; SMN2
SCHEMBL4872642 0.78 ALDH1A1 (0.54) ALDH1A1LMNAPOLBRAB9ASMN1; SMN2
SCHEMBL5150948 0.78 ALDH1A1 (0.44) ALDH1A1LMNAPOLBRAB9ASMN1; SMN2
SCHEMBL5583900 0.76 ALDH1A1 (0.53) ALDH1A1LMNAPOLBRAB9ASMN1; SMN2
SCHEMBL5704316 0.73 KCNA3 (0.58) ALDH1A1LMNAPOLBRAB9ASMN1; SMN2
SCHEMBL8985008 0.73 RAB9A (0.47) ALDH1A1LMNAPOLBRAB9ASMN1; SMN2
SCHEMBL20913146 0.72 RAB9A (0.57) ALDH1A1LMNAPOLBRAB9ASMN1; SMN2
SCHEMBL11278627 0.72 KCNA3 (0.56) ALDH1A1LMNAPOLBRAB9ASMN1; SMN2
Potassium SCHEMBL30271300 0.72 KCNA3 (0.56) ALDH1A1LMNAPOLBRAB9ASMN1; SMN2
SCHEMBL15480485 0.72 LTA4H (0.52) ALDH1A1LMNAPOLBRAB9ASMN1; SMN2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0661393-B1 High tenacity, fire-resistant polyester yarn, method for its production and its use HOECHST AG (DE) 1999-02-17 EP claimed
US-5658662-A PHOSPHORUS-MODIFIED HOECHST AKTIENGESELLSCHAFT (DE) 1997-08-19 US claimed
US-5658662-A PHOSPHORUS-MODIFIED HOECHST AKTIENGESELLSCHAFT (DE) 1997-08-19 US disclosed