SCHEMBL9747796

SCHEMBL9747796

CC(C)[Ti](O[Ti](C(C)C)(C(C)C)C(C)C)(c1ccccc1)c1ccccc1

nearest known ligand 0.36

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
LMNA P02545 1/20 0.36
MAOA P21397 1/20 0.33
PTGS1 P23219 1/20 0.33
POLB P06746 1/20 0.32
MAPT P10636 1/20 0.32
HPGD P15428 1/20 0.32
XBP1 P17861 1/20 0.32
MTNR1A P48039 3/20 0.30
MTNR1B P49286 3/20 0.30
ADRB2 P07550 1/20 0.30
ADRB1 P08588 1/20 0.30
CYP2D6 P10635 1/20 0.30
ADRB3 P13945 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
SCHEMBL9746947 0.81
SCHEMBL9745908 0.65
SCHEMBL3609530 0.61 ALDH1A1 (0.35) LMNAMAOA
SCHEMBL9744980 0.57 CA4 (0.32) LMNA
SCHEMBL13385106 0.56 LMNA (0.68) LMNAMAOAPTGS1MTNR1AMTNR1B
SCHEMBL97377 0.56 LMNA (0.68) LMNAMAOAPTGS1POLBMAPT
SCHEMBL11452108 0.56 TDP1 (0.32) MAOA
SCHEMBL9178337 0.56 LMNA (0.68) LMNAMAOAPTGS1POLBMAPT
SCHEMBL6151849 0.56 TSHR (0.39) LMNA
SCHEMBL6152732 0.56 CA4 (0.41) LMNAPOLB

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-5100762-A Radiation-sensitive polymer and radiation-sensitive composition containing the same MITSUBISHI DENKI KABUSHIKI KAISHA (JP) 1992-03-31 US disclosed