SCHEMBL12656602

SCHEMBL12656602

C=C(Cc1ccc(C)cc1)OC(C)(C)C

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HPGD P15428 3/20 0.42
CTBP2 P56545 1/20 0.37
FAAH O00519 1/20 0.37
ALDH1A1 P00352 1/20 0.37
MGLL Q99685 1/20 0.37
AGXT P21549 2/20 0.36
L3MBTL1 Q9Y468 2/20 0.36
NPC1 O15118 1/20 0.36
RAB9A P51151 1/20 0.36
IDO1 P14902 1/20 0.35
TDP1 Q9NUW8 1/20 0.35
MEN1 O00255 2/20 0.35
KMT2A Q03164 2/20 0.35
PPARG P37231 1/20 0.35
PPARA Q07869 1/20 0.35
CYP2C19 P33261 1/20 0.33
SMN1; SMN2 Q16637 1/20 0.33
CYP1A2 P05177 1/20 0.33
CYP2A6 P11509 1/20 0.33
TAAR1 Q96RJ0 1/20 0.33

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
SCHEMBL22275912 0.80 CHRNB2 (0.38) ALDH1A1TDP1
SCHEMBL7697474 0.79 HPGD (0.45) HPGDCTBP2L3MBTL1NPC1RAB9A
SCHEMBL13849277 0.78 HPGD (0.42) HPGDCTBP2FAAHALDH1A1MGLL
SCHEMBL7517689 0.77 HPGD (0.50) HPGDCTBP2L3MBTL1NPC1RAB9A
SCHEMBL18772414 0.74 HPGD (0.46) HPGDCTBP2FAAHALDH1A1MGLL
SCHEMBL24718312 0.73 HPGD (0.43) HPGDALDH1A1L3MBTL1NPC1RAB9A
SCHEMBL14298318 0.73 SMN1; SMN2 (0.45) HPGDALDH1A1NPC1RAB9AMEN1
SCHEMBL19289931 0.72 SLC5A2 (0.34) SMN1; SMN2
SCHEMBL27053828 0.72 HPGD (0.49) HPGDCTBP2ALDH1A1L3MBTL1NPC1
SCHEMBL20618816 0.70 IDO1 (0.44) HPGDCTBP2FAAHALDH1A1MGLL

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-1163262-B1 PHENYLALANINE DERIVATIVES US GOV HEALTH & HUMAN SERV (US) 2011-05-11 EP disclosed