SCHEMBL8030964

SCHEMBL8030964

CCCCC1Cc2ccc(O)cc2C1=O

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 3/20 0.44
KMT2A Q03164 3/20 0.44
GLA P06280 2/20 0.44
GAA P10253 2/20 0.44
NPC1 O15118 2/20 0.44
ALDH1A1 P00352 2/20 0.44
MAPT P10636 2/20 0.44
RAB9A P51151 2/20 0.44
KDM4E B2RXH2 1/20 0.44
NR1I2 O75469 1/20 0.44
GMNN O75496 1/20 0.44
USP2 O75604 1/20 0.44
LMNA P02545 1/20 0.44
TP53 P04637 1/20 0.44
CYP1A2 P05177 1/20 0.44
HSP90AA1 P07900 1/20 0.44
CYP3A4 P08684 1/20 0.44
CYP2D6 P10635 1/20 0.44
CYP2C9 P11712 1/20 0.44
HPGD P15428 1/20 0.44

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
SCHEMBL8034977 0.86 CYP19A1 (0.57) CYP19A1PBRM1CYP26A1THRATHRB
SCHEMBL27347569 0.82 ACHE (0.56) METAP1ACHETHRATHRB
SCHEMBL30832950 0.81 METAP1 (0.47) METAP1ACHETHRATHRB
SCHEMBL8555749 0.80 METAP1 (0.46) CYP19A1METAP1ACHETHRATHRB
SCHEMBL8028034 0.80 METAP1 (0.64) CYP19A1METAP1ACHETHRATHRB
SCHEMBL1853465 0.78 ACHE (0.63) CYP19A1METAP1ACHE
SCHEMBL2413944 0.77 ACHE (0.38) MEN1KMT2AGAAALDH1A1MAPT
SCHEMBL8809427 0.77 TP53 (0.43) TP53TSHRTHRATHRB
SCHEMBL8874593 0.75 CYP19A1 (0.43) MEN1KMT2AGLAGAANPC1
SCHEMBL8596188 0.75 CYP19A1 (0.43) MEN1KMT2AGLAGAANPC1

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-6166031-A Substituted tetralins, chromans and related compounds in the treatment of asthma PFIZER INC, (US) 2000-12-26 US disclosed
WO-1989003681-A1 SUBSTITUTED TETRALINS, CHROMANS AND RELATED COMPOUNDS IN THE TREATMENT OF ASTHMA PFIZER INC. (US) 1989-05-05 WO disclosed