SCHEMBL634334

SCHEMBL634334

CCC(I)C1CCCCC1

nearest known ligand 0.56

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
SHBG P04278 2/20 0.56
EPHX1 P07099 3/20 0.39
TP53 P04637 1/20 0.36
KDM4E B2RXH2 1/20 0.34
GMNN O75496 1/20 0.34
LMNA P02545 1/20 0.34
MAPT P10636 1/20 0.34
BLM P54132 1/20 0.34
PMP22 Q01453 1/20 0.34
SMN1; SMN2 Q16637 1/20 0.34
CYP1A2 P05177 1/20 0.32

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
SCHEMBL7031940 0.97
SCHEMBL12094462 0.92
SCHEMBL19539461 0.86
SCHEMBL9971146 0.77 SHBG (0.43) SHBGEPHX1CYP1A2
SCHEMBL16026654 0.75 SHBG (0.41) SHBGEPHX1CYP1A2
SCHEMBL19953936 0.74 EPHX1 (0.56) SHBGEPHX1TP53KDM4EGMNN
SCHEMBL8153354 0.74 EPHX1 (0.39) SHBGEPHX1TP53KDM4EGMNN
SCHEMBL28566559 0.73 SHBG (0.40) SHBGEPHX1CYP1A2
SCHEMBL4358257 0.72 SHBG (0.62) SHBGEPHX1TP53KDM4EGMNN
SCHEMBL5400953 0.72 SHBG (0.62) SHBGEPHX1TP53KDM4EGMNN

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2020190791-A1 INHIBITING CYCLIC AMP-RESPONSIVE ELEMENT-BINDING PROTEIN (CREB) FORMA THERAPEUTICS, INC. (US) 2020-09-24 WO disclosed
EP-2419400-A1 MONOAMINE REUPTAKE INHIBITORS RESEARCH TRIANGLE INSTITUTE (US) 2012-02-22 EP disclosed
WO-2010121022-A1 MONOAMINE REUPTAKE INHIBITORS RESEARCH TRIANGLE INSTITUTE (US) 2010-10-21 WO disclosed