SCHEMBL9768771

SCHEMBL9768771

O=S(=O)(O)CCCOc1c[c]ccc1

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 5/20 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
PKM P14618 2/20 0.38
RECQL P46063 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
THPO P40225 1/20 0.38
MTOR P42345 1/20 0.38
BLM P54132 1/20 0.38
HIF1A Q16665 1/20 0.38
LTA4H P09960 1/20 0.37
PLA2G2A P14555 2/20 0.35

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
SCHEMBL3167329 0.84 FFAR1 (0.40) RAB9ANPC1HTTKCNA3
SCHEMBL5150948 0.80 ALDH1A1 (0.44) ALDH1A1LMNAPOLBRAB9ASMN1; SMN2
SCHEMBL8375100 0.80 ALDH1A1 (0.38) ALDH1A1LMNAPOLBRAB9ASMN1; SMN2
SCHEMBL5704316 0.79 KCNA3 (0.58) ALDH1A1LMNAPOLBRAB9ASMN1; SMN2
SCHEMBL3174245 0.79 ALDH1A1 (0.34) ALDH1A1PKMHTTKCNA3TP53
SCHEMBL5704638 0.78 KCNA3 (0.42) ALDH1A1RAB9ASMN1; SMN2PKMRECQL
SCHEMBL10575521 0.78 KCNA3 (0.56) ALDH1A1LMNAPOLBRAB9ASMN1; SMN2
SCHEMBL27795574 0.78 ALDH1A1 (0.45) ALDH1A1RECQLLTA4HKCNA3
SCHEMBL11278627 0.78 KCNA3 (0.56) ALDH1A1LMNAPOLBRAB9ASMN1; SMN2
Potassium SCHEMBL30271300 0.78 KCNA3 (0.56) 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 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-5071729-A Discoloration inhibitor releasing compound FUJI PHOTO FILM CO., LTD. (JP) 1991-12-10 US disclosed