SCHEMBL8940749

SCHEMBL8940749

COc1ccc(Oc2ccccc2)cc1-c1cc(Oc2ccccc2)ccc1O

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HDAC4 P56524 2/20 0.50
HDAC2 Q92769 2/20 0.50
HDAC8 Q9BY41 2/20 0.50
LTA4H P09960 2/20 0.48
TUBB4A P04350 1/20 0.47
TUBB P07437 1/20 0.47
TUBA3C P0DPH7 1/20 0.47
TUBA1B P68363 1/20 0.47
TUBA4A P68366 1/20 0.47
TUBB4B P68371 1/20 0.47
TUBB3 Q13509 1/20 0.47
TUBB2A Q13885 1/20 0.47
TUBB8 Q3ZCM7 1/20 0.47
TUBA3E Q6PEY2 1/20 0.47
TUBA1A Q71U36 1/20 0.47
TUBA1C Q9BQE3 1/20 0.47
TUBB6 Q9BUF5 1/20 0.47
TUBB2B Q9BVA1 1/20 0.47
TUBB1 Q9H4B7 1/20 0.47
GABRA1 P14867 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
SCHEMBL8864080 0.83 LTA4H (0.55) LTA4HTUBB4ATUBBTUBA3CTUBA1B
SCHEMBL11646840 0.77 LTA4H (0.61) LTA4HTUBB4ATUBBTUBA3CTUBA1B
SCHEMBL27613014 0.77 ALDH1A1 (0.55) HDAC4HDAC2HDAC8GABRA1GABRB2
SCHEMBL8940685 0.77 ALDH1A1 (0.55) HDAC4HDAC2HDAC8GABRA1GABRB2
SCHEMBL9379302 0.77 FYN (0.52) GABRA1GABRB2ALDH1A1GAAMAPT
SCHEMBL2099937 0.75 ALDH1A1 (0.63) LTA4HTUBB4ATUBBTUBA3CTUBA1B
Methoxymethane SCHEMBL11646837 0.75 LTA4H (0.59) LTA4HTUBB4ATUBBTUBA3CTUBA1B
SCHEMBL6572244 0.74 NPC1 (0.53) HDAC4HDAC2HDAC8GABRA1GABRB2
SCHEMBL1911833 0.74 LTA4H (0.57) LTA4HALDH1A1TTRERN1KDM4E
SCHEMBL4958922 0.73 TTR (0.65) LTA4HTUBB4ATUBBTUBA3CTUBA1B

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
EP-0700384-A1 PROCESS FOR PREPARING AND RESOLVING 2-PHENYL-3-AMINOPIPERIDINE PFIZER (US) 1996-03-13 EP disclosed
WO-1994027966-A1 PROCESS FOR PREPARING AND RESOLVING 2-PHENYL-3-AMINOPIPERIDINE PFIZER INC. (US) 1994-12-08 WO disclosed