SCHEMBL11823964

SCHEMBL11823964

COc1ccc(C(=O)c2oc3ccccc3c2C)cc1

nearest known ligand 0.73

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ MAPT P10636 10/20 0.73
▸ KDM4E B2RXH2 5/20 0.73
▸ MEN1 O00255 4/20 0.73
▸ KMT2A Q03164 4/20 0.73
▸ SMN1; SMN2 Q16637 4/20 0.73
▸ ALDH1A1 P00352 3/20 0.73
▸ NPC1 O15118 3/20 0.73
▸ RAB9A P51151 3/20 0.73
▸ HPGD P15428 2/20 0.73
▸ TDP1 Q9NUW8 1/20 0.73
▸ CYP2C19 P33261 2/20 0.68
▸ TP53 P04637 3/20 0.64
▸ CYP2C9 P11712 3/20 0.64
▸ L3MBTL1 Q9Y468 1/20 0.61
▸ RXFP1 Q9HBX9 2/20 0.60
▸ LMNA P02545 3/20 0.58
▸ POLB P06746 1/20 0.58
▸ HSD17B10 Q99714 2/20 0.58
▸ TUBB4A P04350 1/20 0.56
▸ TUBB P07437 1/20 0.56

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
Acetic Acid SCHEMBL5511893 0.96 MAPT (0.68) MAPTKDM4EMEN1KMT2ASMN1; SMN2
SCHEMBL30608268 0.85 NPC1 (0.73) MAPTKDM4EMEN1KMT2ASMN1; SMN2
SCHEMBL30608267 0.85 MAPT (0.61) MAPTKDM4EMEN1KMT2ASMN1; SMN2
SCHEMBL30608270 0.85 NPC1 (0.66) MAPTKDM4EMEN1KMT2ASMN1; SMN2
SCHEMBL8805009 0.84 MAPT (1.00) MAPTKDM4EMEN1KMT2ASMN1; SMN2
SCHEMBL11823271 0.84 EYA3 (0.66) MAPTKDM4EMEN1KMT2ASMN1; SMN2
SCHEMBL716903 0.83 RAB9A (0.74) MAPTKDM4EMEN1KMT2ASMN1; SMN2
SCHEMBL30608274 0.83 KDM4E (0.72) MAPTKDM4EMEN1KMT2ASMN1; SMN2
SCHEMBL16581242 0.82 NPC1 (0.57) MAPTKDM4EMEN1KMT2ASMN1; SMN2
SCHEMBL7437950 0.82 SMN1; SMN2 (0.69) MAPTKDM4EMEN1KMT2ASMN1; SMN2

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
US-3983245-A CORONARY VASODILATORS SMITHKLINE CORPORATION (US) 1976-09-28 — — US disclosed
US-3975537-A SUBSTITUTED BENZOFURANS SMITH KLINE (US) 1976-08-17 — — US disclosed
Send feedback