SCHEMBL7941171

SCHEMBL7941171

CC1=C(C)CC([Zr](=C(c2ccccc2)c2ccccc2)C2c3cc(C)ccc3-c3ccc(C)cc32)=C1

nearest known ligand 0.32

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
CYP19A1 P11511 1/20 0.32
SMN1; SMN2 Q16637 2/20 0.31
TSHR P16473 1/20 0.31
PDE5A O76074 1/20 0.31
NPSR1 Q6W5P4 3/20 0.31
MEN1 O00255 2/20 0.31
KMT2A Q03164 2/20 0.31
LMNA P02545 1/20 0.31
MAPT P10636 1/20 0.31
NPC1 O15118 1/20 0.30
RAB9A P51151 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
SCHEMBL7106552 0.87
SCHEMBL6904389 0.86 ALDH1A1 (0.33) CYP19A1LMNANPC1RAB9A
SCHEMBL7943339 0.83 MAPT (0.34) CYP19A1SMN1; SMN2MEN1KMT2ALMNA
SCHEMBL19056250 0.81
SCHEMBL17698557 0.79 LMNA (0.32) SMN1; SMN2TSHRPDE5ANPSR1MEN1
SCHEMBL17698585 0.79 NPSR1 (0.33) SMN1; SMN2NPSR1MEN1KMT2ALMNA
SCHEMBL6902276 0.74 CNR2 (0.30)
SCHEMBL17698610 0.73 TSHR (0.31) SMN1; SMN2TSHR
SCHEMBL17698583 0.73 ESR1 (0.34)
SCHEMBL5076771 0.72

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
US-6316558-B1 POLYMERIZING OLEFIN USING CATALYST COMPRISING TRANSITION METAL COMPOUND, COMPOUND CAPABLE OF A REACTING WITH TRANSITION METAL COMPOUND TO FORM A CATIONIC TRANSITION METAL COMPOUND, ORGANOMETALLIC TO FORM POLYOLEFIN TOSOH CORPORATION (JP) 2001-11-13 US disclosed