SCHEMBL8848990

SCHEMBL8848990

CCCc1ccc(OC#N)c(CCC)c1CCC

nearest known ligand 0.31

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 1/20 0.31
ALDH1A1 P00352 1/20 0.31
GAA P10253 1/20 0.31
HPGD P15428 1/20 0.31
NCEH1 Q6PIU2 1/20 0.31
AR P10275 1/20 0.30
HMGCR P04035 1/20 0.30

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
SCHEMBL8848898 0.84 LTB4R (0.39) AR
SCHEMBL8849204 0.82 HMGCR (0.37) ARHMGCR
SCHEMBL28886301 0.79 MEN1 (0.32) ALDH1A1ARHMGCR
SCHEMBL704599 0.76 KDM4E (0.33) KDM4EALDH1A1GAAHPGDNCEH1
SCHEMBL1711830 0.76 KDM4E (0.39) KDM4EALDH1A1GAAHPGDHMGCR
SCHEMBL3627072 0.74 KDM4E (0.32) KDM4EALDH1A1GAAHPGDNCEH1
SCHEMBL17060529 0.74 AR (0.46) AR
SCHEMBL448419 0.74 KDM4E (0.32) KDM4EALDH1A1GAAHPGDNCEH1
Ammonia Solution, Strong SCHEMBL5848979 0.73 KDM4E (0.38) KDM4EALDH1A1GAAHPGDHMGCR
SCHEMBL448420 0.71 NCEH1 (0.33) KDM4EALDH1A1GAAHPGDNCEH1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-5623006-A HAVING GAP FILLED WITH CURED POLYCYANURATE BINDER INTERNATIONAL BUSINESS MACHINES CORPORATION (US) 1997-04-22 US disclosed
US-5536765-A CYANATE TRIMERIZATION INTERNATIONAL BUSINESS MACHINES CORPORATION (US) 1996-07-16 US disclosed
US-5468790-A Useful in forming interconnection structures for integrated semiconductor devices INTERNATIONAL BUSINESS MACHINES CORPORATION (US) 1995-11-21 US disclosed
EP-0604823-A1 Triazine polymer and use thereof International Business Machines Corporation (US) 1994-07-06 EP disclosed