SCHEMBL27294657

SCHEMBL27294657

CCCCCCCCCCCCCCCCC(O)(CC)c1ccccc1

nearest known ligand 0.58

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 2/20 0.44
KMT2A Q03164 2/20 0.44
SIGMAR1 Q99720 1/20 0.44
GAA P10253 1/20 0.43
CYP1A2 P05177 1/20 0.42
CYP2C9 P11712 1/20 0.42
CYP2C19 P33261 1/20 0.42
SCN5A Q14524 3/20 0.42
SCN9A Q15858 3/20 0.42
ATM Q13315 1/20 0.42
CNR1 P21554 3/20 0.41
CNR2 P34972 3/20 0.41
CHRM3 P20309 1/20 0.41
ESR2 Q92731 1/20 0.40

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
SCHEMBL23013768 0.98 SIGMAR1 (0.45) MEN1KMT2ASIGMAR1GAACYP1A2
SCHEMBL11643873 0.92 SIGMAR1 (0.46) MEN1KMT2ASIGMAR1GAACYP1A2
SCHEMBL7122087 0.92 CYP1A2 (0.45) MEN1KMT2ASIGMAR1CYP1A2CYP2C9
SCHEMBL3809940 0.92 SIGMAR1 (0.46) MEN1KMT2ASIGMAR1GAACYP1A2
SCHEMBL3422456 0.92 SIGMAR1 (0.46) MEN1KMT2ASIGMAR1GAACYP1A2
SCHEMBL29161136 0.91 SIGMAR1 (0.45) MEN1KMT2ASIGMAR1GAACYP1A2
SCHEMBL28724610 0.91 SIGMAR1 (0.45) MEN1KMT2ASIGMAR1GAACYP1A2
SCHEMBL28718402 0.90 SIGMAR1 (0.47) MEN1KMT2ASIGMAR1GAACYP1A2
SCHEMBL10011783 0.87 SIGMAR1 (0.42) MEN1KMT2ASIGMAR1GAACYP1A2
SCHEMBL7606477 0.87 SIGMAR1 (0.42) MEN1KMT2ASIGMAR1CYP1A2CYP2C9

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-1032692-C Stable organotin compound, its preparing process and use thereof TAIAN CITY FINE CHEMICAL GENER (CN) 1996-09-04 CN disclosed