SCHEMBL9745533

SCHEMBL9745533

c1ccc([Ti](O[Ti](c2ccccc2)(c2ccccc2)c2ccccc2)(c2ccccc2)c2ccccc2)cc1

nearest known ligand 0.35

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TSHR P16473 5/20 0.35
LTA4H P09960 1/20 0.35
ALDH1A1 P00352 3/20 0.33
CA4 P22748 2/20 0.32
ALOX15 P16050 1/20 0.31
ORAI1 Q96D31 1/20 0.30
ORAI2 Q96SN7 1/20 0.30
ORAI3 Q9BRQ5 1/20 0.30
TRPV6 Q9H1D0 1/20 0.30
CA1 P00915 2/20 0.30
CA2 P00918 2/20 0.30
CA9 Q16790 2/20 0.30
TDP1 Q9NUW8 2/20 0.30
CA12 O43570 1/20 0.30
GLA P06280 1/20 0.30
CA3 P07451 1/20 0.30
CA14 Q9ULX7 1/20 0.30
LMNA P02545 1/20 0.30
ALOX12 P18054 1/20 0.30
ACHE P22303 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
SCHEMBL9745908 0.75
SCHEMBL9747987 0.75 ALDH1A1 (0.35) ALDH1A1ALOX15
SCHEMBL6152339 0.75 CA4 (0.41) TSHRLTA4HALDH1A1CA4ALOX15
SCHEMBL392642 0.67 ALDH1A1 (0.40) TSHRLTA4HALDH1A1CA4ALOX15
SCHEMBL6152732 0.63 CA4 (0.41) TSHRLTA4HALDH1A1CA4CA1
SCHEMBL482784 0.63 CA4 (0.41) TSHRLTA4HALDH1A1CA4CA1
SCHEMBL8195598 0.62 ALDH1A1 (0.35) TSHRLTA4HALDH1A1CA4ALOX15
SCHEMBL8192132 0.62 TSHR (0.39) TSHRLTA4HALDH1A1CA4ORAI1
SCHEMBL8192158 0.62 ALDH1A1 (0.39) TSHRALDH1A1CA4CA1CA2
SCHEMBL8192301 0.62 ALDH1A1 (0.35) TSHRLTA4HALDH1A1CA4ALOX15

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