SCHEMBL11587489

SCHEMBL11587489

OCCCCCNC(c1ccccc1)c1ccccc1

nearest known ligand 0.72

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 5/20 0.72
HSD17B10 Q99714 2/20 0.72
LMNA P02545 1/20 0.72
MTOR P42345 1/20 0.63
RAB9A P51151 1/20 0.63
GRM7 Q14831 1/20 0.63
TSHR P16473 2/20 0.61
CYP3A4 P08684 1/20 0.61
ALOX15 P16050 1/20 0.61
MAPT P10636 2/20 0.51
POLB P06746 1/20 0.51
RRM1 P23921 1/20 0.47
KCNH3 Q9ULD8 1/20 0.46
DUT P33316 2/20 0.46
KDM1A O60341 3/20 0.45
MAOB P27338 3/20 0.45
GRIN1 Q05586 2/20 0.44
GRIN2A Q12879 2/20 0.44
CNR1 P21554 1/20 0.42
KDM4E B2RXH2 1/20 0.42

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
SCHEMBL2586127 0.84 RAB9A (0.74) ALDH1A1HSD17B10LMNAMTORRAB9A
SCHEMBL10411095 0.83 MTOR (0.81) ALDH1A1HSD17B10LMNAMTORRAB9A
Water SCHEMBL11427823 0.79 ALDH1A1 (0.68) ALDH1A1HSD17B10LMNAMTORRAB9A
Water SCHEMBL11427822 0.79 ALDH1A1 (0.68) ALDH1A1HSD17B10LMNAMTORRAB9A
Hydrochloric Acid SCHEMBL11129806 0.79 ALDH1A1 (0.68) ALDH1A1HSD17B10LMNAMTORRAB9A
Hydrochloric Acid SCHEMBL11130204 0.79 ALDH1A1 (0.68) ALDH1A1HSD17B10LMNAMTORRAB9A
Hydrochloric Acid SCHEMBL11126418 0.79 ALDH1A1 (0.68) ALDH1A1HSD17B10LMNAMTORRAB9A
Hydrochloric Acid SCHEMBL11128098 0.79 ALDH1A1 (0.68) ALDH1A1HSD17B10LMNAMTORRAB9A
Water SCHEMBL11425503 0.79 ALDH1A1 (0.68) ALDH1A1HSD17B10LMNAMTORRAB9A
Water SCHEMBL11439919 0.79 ALDH1A1 (0.68) ALDH1A1HSD17B10LMNAMTORRAB9A

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
EP-0002039-A1 Phosphonous acid derivatives, processes for their preparation and their use in combating microorganisms CIBA-GEIGY AG (CH) 1979-05-30 EP disclosed