SCHEMBL9987384

SCHEMBL9987384

NCC(N)C(CC1CCCCC1)C1CCCCC1

nearest known ligand 0.47

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
EPHX1 P07099 2/20 0.45
TP53 P04637 1/20 0.42
KDM4E B2RXH2 1/20 0.41
GMNN O75496 1/20 0.41
LMNA P02545 1/20 0.41
MAPT P10636 1/20 0.41
BLM P54132 1/20 0.41
PMP22 Q01453 1/20 0.41
SMN1; SMN2 Q16637 1/20 0.41
SHBG P04278 1/20 0.40
ALDH1A1 P00352 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
SCHEMBL28402342 0.81 SHBG (0.44) EPHX1TP53KDM4EGMNNLMNA
SCHEMBL9717438 0.73 EPHX1 (0.62) EPHX1TP53KDM4EGMNNLMNA
SCHEMBL2985858 0.72 SHBG (0.50) EPHX1TP53SHBG
SCHEMBL11838850 0.72 SHBG (0.44) EPHX1TP53LMNASHBGALDH1A1
SCHEMBL3001306 0.72 SHBG (0.50) EPHX1TP53SHBG
SCHEMBL5065302 0.72 SHBG (0.50) EPHX1TP53SHBG
SCHEMBL734472 0.72 EPHX1 (0.54) EPHX1TP53KDM4EGMNNLMNA
SCHEMBL3909022 0.72 EPHX1 (0.42) EPHX1TP53KDM4EGMNNLMNA
SCHEMBL3909020 0.72 EPHX1 (0.42) EPHX1TP53KDM4EGMNNLMNA
SCHEMBL4319269 0.72 EPHX1 (0.42) EPHX1TP53KDM4EGMNNLMNA

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
EP-2392400-B1 Homogeneous asymmetric hydrogenation method TAKASAGO PERFUMERY CO LTD (JP) 2014-05-07 EP disclosed
EP-2392400-A2 Homogeneous asymmetric hydrogenation catalyst Takasago International Corporation (JP) 2011-12-07 EP disclosed