SCHEMBL7159681

SCHEMBL7159681

Cc1ccc(P(c2ccc(C)cc2)c2cccc3c2-c2c(cccc2P(c2ccc(C)cc2)c2ccc(C)cc2)OCCCO3)cc1

nearest known ligand 0.35

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LMNA P02545 2/20 0.33
ALDH1A1 P00352 1/20 0.33
PKM P14618 1/20 0.33
TSHR P16473 1/20 0.33
NPSR1 Q6W5P4 1/20 0.33
SMN1; SMN2 Q16637 3/20 0.32
NPC1 O15118 1/20 0.32
CYP1A2 P05177 1/20 0.32
CYP2C19 P33261 1/20 0.32
RAB9A P51151 1/20 0.32
GAA P10253 1/20 0.32
ITGB2 P05107 1/20 0.31
ICAM1 P05362 1/20 0.31
ITGAL P20701 1/20 0.31
MAP3K14 Q99558 1/20 0.31
MEN1 O00255 1/20 0.31
KMT2A Q03164 1/20 0.31
FFAR4 Q5NUL3 1/20 0.31
MAPT P10636 1/20 0.30
L3MBTL1 Q9Y468 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
SCHEMBL7168221 0.88 FFAR4 (0.33) SMN1; SMN2NPC1CYP1A2CYP2C19RAB9A
SCHEMBL372145 0.85 ITGB2 (0.39) LMNAALDH1A1SMN1; SMN2NPC1RAB9A
SCHEMBL19928557 0.84 DRD1 (0.36) LMNASMN1; SMN2NPC1RAB9AGAA
SCHEMBL3136613 0.82 ITGB2 (0.39) LMNAALDH1A1SMN1; SMN2NPC1RAB9A
SCHEMBL20351197 0.81 ITGB2 (0.38) LMNASMN1; SMN2NPC1RAB9AGAA
SCHEMBL3133241 0.81 ITGB2 (0.38) LMNASMN1; SMN2NPC1RAB9AGAA
SCHEMBL13243539 0.81 ITGB2 (0.38) LMNASMN1; SMN2NPC1RAB9AGAA
SCHEMBL9913796 0.81 DRD1 (0.36) LMNASMN1; SMN2GAAITGB2ICAM1
SCHEMBL3132985 0.78 ITGB2 (0.46) LMNAPKMSMN1; SMN2GAAITGB2
SCHEMBL18979231 0.77 DRD1 (0.35) LMNAPKMTSHRSMN1; SMN2NPC1

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
EP-1095946-B1 Optically active diphosphine compound, production intermediates therefor, transition metal complex containing the compound as ligand and asymmetric hydrogenation catalyst containing the complex TAKASAGO PERFUMERY CO LTD (JP) 2003-08-27 EP disclosed
US-6333291-B1 USEFUL AS A LIGAND OF CATALYSTS FOR ASYMMETRIC SYNTHESIS REACTIONS SUCH AS ASYMMETRIC HYDROGENATION REACTION TAKASAGO INTERNATIONAL CORPORATION (JP) 2001-12-25 US disclosed
EP-1095946-A1 Optically active diphosphine compound, production intermediates therefor, transition metal complex containing the compound as ligand and asymmetric hydrogenation catalyst containing the complex Takasago International Corporation (JP) 2001-05-02 EP disclosed