SCHEMBL9471985

SCHEMBL9471985

O=C(CNc1ccccc1)OC1CC1

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GAA P10253 2/20 0.50
MAPT P10636 2/20 0.50
BCHE P06276 3/20 0.43
ALDH1A1 P00352 4/20 0.42
LMNA P02545 3/20 0.42
KDM4E B2RXH2 1/20 0.42
FAAH O00519 1/20 0.41
MGLL Q99685 1/20 0.41
RAB9A P51151 2/20 0.41
MEN1 O00255 1/20 0.41
KMT2A Q03164 1/20 0.41
EPHX1 P07099 1/20 0.40
ACHE P22303 1/20 0.40
SMN1; SMN2 Q16637 2/20 0.40
MC4R P32245 1/20 0.40
NPC1 O15118 1/20 0.40
HPGD P15428 1/20 0.40
AGTR1 P30556 1/20 0.40
ERCC1 P07992 1/20 0.40
ERCC4 Q92889 1/20 0.40

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
SCHEMBL1491502 0.93 FAAH (0.49) GAAMAPTBCHEALDH1A1LMNA
SCHEMBL9471202 0.92 FAAH (0.51) GAAMAPTALDH1A1LMNAKDM4E
SCHEMBL6696112 0.82 KMT2A (0.46) GAAALDH1A1RAB9AMEN1KMT2A
SCHEMBL8840792 0.80 ALDH1A1 (0.46) GAAMAPTALDH1A1LMNAKDM4E
SCHEMBL2546469 0.78 STS (0.42) GAAMAPTALDH1A1LMNAFAAH
SCHEMBL26135537 0.77 ALDH1A1 (0.47) GAAMAPTALDH1A1LMNAKDM4E
SCHEMBL20594029 0.77 ALDH1A1 (0.47) GAAMAPTALDH1A1LMNAKDM4E
SCHEMBL9471337 0.77 PTGIR (0.52) GAAMAPTBCHEALDH1A1LMNA
SCHEMBL2541972 0.76 IDO1 (0.45) GAAALDH1A1LMNAKDM4ERAB9A
SCHEMBL2540533 0.76 CYP19A1 (0.52) ALDH1A1LMNAKDM4ESMN1; SMN2MC4R

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-5223529-A Nervous system and gastrointestinal disorders RHONE-POULENC SANTE (FR) 1993-06-29 US disclosed