SCHEMBL7919208

SCHEMBL7919208

CCC(=O)O[Ti]1(OC(=O)CC)C2C(=Cc3ccccc32)CCC2=Cc3ccccc3C21

nearest known ligand 0.32

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 2/20 0.32
SMN1; SMN2 Q16637 1/20 0.32
TDP1 Q9NUW8 1/20 0.32
KCNH2 Q12809 2/20 0.30
RET P07949 2/20 0.30
OPRM1 P35372 2/20 0.30
OPRD1 P41143 2/20 0.30
MRGPRX2 Q96LB1 1/20 0.30
CHRM3 P20309 1/20 0.30
HRH2 P25021 1/20 0.30
HTR2A P28223 1/20 0.30
ADRA1A P35348 1/20 0.30
OPRK1 P41145 1/20 0.30
PTGDR2 Q9Y5Y4 1/20 0.30
BCHE P06276 1/20 0.30
ELANE P08246 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
SCHEMBL7927323 0.92 ALDH1A1 (0.32) ALDH1A1SMN1; SMN2TDP1KCNH2RET
SCHEMBL7924666 0.90 ALDH1A1 (0.39) ALDH1A1SMN1; SMN2TDP1
SCHEMBL7927787 0.85 POLB (0.35) ALDH1A1SMN1; SMN2TDP1
SCHEMBL7930979 0.83 ALDH1A1 (0.37) ALDH1A1SMN1; SMN2TDP1RET
SCHEMBL7925595 0.81 ALDH1A1 (0.32) ALDH1A1SMN1; SMN2TDP1RETELANE
SCHEMBL7931007 0.81 LMNA (0.33) ELANE
SCHEMBL7924683 0.80 ELANE (0.31) ALDH1A1SMN1; SMN2TDP1ELANE
SCHEMBL7924741 0.80 LMNA (0.36) ALDH1A1TDP1PTGDR2
SCHEMBL7925758 0.78 THRB (0.33)
SCHEMBL7927402 0.78

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-0867454-B1 POLYMERIZATION CATALYST AND PROCESS FOR PRODUCING POLYMERS IDEMITSU KOSAN CO (JP) 2001-03-21 EP disclosed
US-6075102-A Polymerization catalyst and process for producing polymers IDEMITSU KOSAN CO., LTD. (JP) 2000-06-13 US disclosed
EP-0867454-A1 POLYMERIZATION CATALYST AND PROCESS FOR PRODUCING POLYMERS IDEMITSU KOSAN COMPANY LIMITED (JP) 1998-09-30 EP disclosed