SCHEMBL7930979

SCHEMBL7930979

CCCC(=O)O[Ti]1(OC(=O)CCC)C2C(=Cc3ccccc32)CC2=Cc3ccccc3C21

nearest known ligand 0.37

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 2/20 0.37
LMNA P02545 3/20 0.36
SLC18A3 Q16572 1/20 0.33
ALOX15 P16050 1/20 0.32
CYP3A4 P08684 1/20 0.31
CYP2D6 P10635 1/20 0.31
CYP2C9 P11712 1/20 0.31
TSHR P16473 1/20 0.31
CYP2C19 P33261 1/20 0.31
SMN1; SMN2 Q16637 2/20 0.31
TDP1 Q9NUW8 1/20 0.31
NPSR1 Q6W5P4 3/20 0.30
MEN1 O00255 1/20 0.30
MAPT P10636 1/20 0.30
KMT2A Q03164 1/20 0.30
NAMPT P43490 1/20 0.30
RET P07949 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
SCHEMBL7924666 0.94 ALDH1A1 (0.39) ALDH1A1LMNASLC18A3ALOX15CYP3A4
SCHEMBL7927323 0.91 ALDH1A1 (0.32) ALDH1A1SMN1; SMN2TDP1RET
SCHEMBL7927559 0.83 POLB (0.35) ALDH1A1LMNASMN1; SMN2TDP1
SCHEMBL7928240 0.83 ALDH1A1 (0.34) ALDH1A1LMNASLC18A3CYP3A4CYP2D6
SCHEMBL7919208 0.83 ALDH1A1 (0.32) ALDH1A1SMN1; SMN2TDP1RET
SCHEMBL7925489 0.80 LMNA (0.33) LMNANPSR1MAPTNAMPT
SCHEMBL7928090 0.79 ELANE (0.31) ALDH1A1SMN1; SMN2TDP1
SCHEMBL7927198 0.78 LMNA (0.36) ALDH1A1LMNATSHRTDP1MEN1
SCHEMBL7930339 0.77
SCHEMBL7930669 0.77 THRB (0.33)

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