SCHEMBL9862928

SCHEMBL9862928

Cc1cc(CCCCCOc2ccc(C=O)cc2)on1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 6/20 0.46
MAPT P10636 3/20 0.46
SMN1; SMN2 Q16637 3/20 0.46
HPGD P15428 2/20 0.46
LMNA P02545 2/20 0.46
CYP1A2 P05177 1/20 0.45
CYP19A1 P11511 1/20 0.45
CYP2C9 P11712 1/20 0.45
CYP2C19 P33261 1/20 0.45
MEN1 O00255 2/20 0.40
KMT2A Q03164 2/20 0.40
PLA2G2A P14555 1/20 0.39
KDM4E B2RXH2 2/20 0.38
NR1I2 O75469 1/20 0.38
CYP3A4 P08684 1/20 0.38
CYP2D6 P10635 1/20 0.38
CA9 Q16790 1/20 0.37
HDAC6 Q9UBN7 1/20 0.37
MAOA P21397 1/20 0.35
MAOB P27338 1/20 0.35

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
SCHEMBL11030956 1.00 ALDH1A1 (0.46) ALDH1A1MAPTSMN1; SMN2HPGDLMNA
SCHEMBL11032176 0.83 CYP1A2 (0.48) ALDH1A1MAPTLMNACYP1A2CYP19A1
SCHEMBL11032320 0.82 MEN1 (0.51) ALDH1A1SMN1; SMN2CYP1A2CYP19A1CYP2C9
SCHEMBL9863105 0.82 CYP2D6 (0.50) ALDH1A1MAPTLMNACYP1A2CYP19A1
SCHEMBL11033028 0.81 TP53 (0.55)
SCHEMBL11034638 0.81 TP53 (0.55)
SCHEMBL11031528 0.81 TP53 (0.55)
SCHEMBL11033892 0.81 TP53 (0.55)
SCHEMBL11033909 0.81 GAA (0.60) ALDH1A1MAPTCYP1A2CYP19A1CYP2C9
SCHEMBL11034112 0.81 CYP1A2 (0.46) ALDH1A1MAPTHPGDLMNACYP1A2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-5051437-A Treatment of rhinovirus or picornaviruses STERLING DRUG INC. (US) 1991-09-24 US disclosed
US-5002960-A Viricides for combating picornaviruses STERLING DRUG, INC. (US) 1991-03-26 US disclosed
US-4939267-A Viricides STERLING DRUG INC. (US) 1990-07-03 US disclosed
US-4857539-A Heterocyclic substituted-phenoxyalkylisoxazoles as antiviral useful agents STERLING DRUG INC. (US) 1989-08-15 US disclosed
US-4843087-A OXAZOLINYL COMPOUNDS; RHINOVIRUSES AND PICORNAVIRUSES STERLING DRUG INC. (US) 1989-06-27 US disclosed
EP-0207453-A2 Heterocyclic substituted-phenoxyalkyl-isoxazoles and-furans, their preparation and use as antiviral agents STERLING WINTHROP INC. (US) 1987-01-07 EP disclosed