SCHEMBL10790366

SCHEMBL10790366

COc1ccccc1Cc1ccc(CCO)cc1

nearest known ligand 0.49

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
LTA4H P09960 1/20 0.49
TAAR1 Q96RJ0 2/20 0.49
ABCB1 P08183 1/20 0.47
TDP1 Q9NUW8 1/20 0.45
KMT2A Q03164 1/20 0.45
LMNA P02545 1/20 0.44
IDO1 P14902 1/20 0.44
KCNH2 Q12809 1/20 0.44
SLC5A1 P13866 1/20 0.44
SLC5A2 P31639 1/20 0.44
MTNR1A P48039 1/20 0.44
MTNR1B P49286 1/20 0.44
SIGMAR1 Q99720 1/20 0.44
AOC3 Q16853 1/20 0.44

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
SCHEMBL9470803 0.86 LTA4H (0.51) LTA4HTAAR1KMT2ALMNAIDO1
Hydrochloric Acid SCHEMBL9467955 0.81 TAAR1 (0.66) LTA4HTAAR1LMNAIDO1
SCHEMBL29474956 0.81 TAAR1 (0.64) TAAR1ABCB1LMNAIDO1KCNH2
SCHEMBL621779 0.81 HTR1A (0.58) LTA4HTAAR1ABCB1LMNAIDO1
SCHEMBL852646 0.81 TAAR1 (0.64) TAAR1ABCB1LMNAIDO1KCNH2
SCHEMBL3153666 0.80 KMT2A (0.56) LTA4HTAAR1KMT2AIDO1SLC5A1
SCHEMBL7282070 0.80 LTA4H (0.62) LTA4HTAAR1ABCB1TDP1LMNA
SCHEMBL1682187 0.80 LTA4H (0.52) LTA4HTAAR1IDO1SLC5A1SLC5A2
SCHEMBL16321443 0.79 ALDH1A1 (0.56) LTA4HTAAR1KMT2ALMNAIDO1
SCHEMBL27462498 0.79 LTA4H (0.58) LTA4HTAAR1ABCB1KMT2AIDO1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0112588-B1 4-HYDROXY-ALPHA-ETHYL BENZHYDROLES, PROCESS FOR THEIR PREPARATION AND MEDICINES CONTAINING THESE COMPOUNDS RICHTER GEDEON VEGYESZETI GYAR R.T. (HU) 1987-11-11 EP claimed
EP-0112588-A2 4-Hydroxy-alpha-ethyl benzhydroles, process for their preparation and medicines containing these compounds RICHTER GEDEON VEGYESZETI GYAR R.T. (HU) 1984-07-04 EP claimed
EP-0112588-B1 4-HYDROXY-ALPHA-ETHYL BENZHYDROLES, PROCESS FOR THEIR PREPARATION AND MEDICINES CONTAINING THESE COMPOUNDS RICHTER GEDEON VEGYESZETI GYAR R.T. (HU) 1987-11-11 EP disclosed
EP-0112588-A2 4-Hydroxy-alpha-ethyl benzhydroles, process for their preparation and medicines containing these compounds RICHTER GEDEON VEGYESZETI GYAR R.T. (HU) 1984-07-04 EP disclosed