SCHEMBL11138233

SCHEMBL11138233

C/C(=C/C(C)(C)c1cccc(Cl)c1O)c1cccc(Cl)c1O

nearest known ligand 0.37

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
▸ CA2 P00918 1/20 0.37
▸ P2RX1 P51575 1/20 0.34
▸ P2RX4 Q99571 1/20 0.34
▸ P2RX7 Q99572 1/20 0.34
▸ TMPRSS4 Q9NRS4 1/20 0.34
▸ GABRA1 P14867 1/20 0.33
▸ GABRB2 P47870 1/20 0.33
▸ KLKB1 P03952 1/20 0.33
▸ ALOX12 P18054 1/20 0.32
▸ HSP90AA1 P07900 1/20 0.32
▸ TAS1R3 Q7RTX0 1/20 0.32
▸ TAS1R1 Q7RTX1 1/20 0.32
▸ TAS1R2 Q8TE23 1/20 0.32
▸ PLAU P00749 2/20 0.31
▸ PLAT P00750 2/20 0.31
▸ F2 P00734 1/20 0.31
▸ F10 P00742 1/20 0.31
▸ CD38 P28907 1/20 0.30
▸ TSHR P16473 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
SCHEMBL11138235 1.00 CA2 (0.37) CA2P2RX1P2RX4P2RX7TMPRSS4
SCHEMBL11151747 0.80 CA2 (0.39) CA2GABRA1GABRB2ALOX12TSHR
SCHEMBL11151748 0.80 CA2 (0.39) CA2GABRA1GABRB2ALOX12TSHR
SCHEMBL9892427 0.73 CA2 (0.70) CA2GABRA1GABRB2ALOX12HSP90AA1
SCHEMBL11145354 0.70 CA2 (0.36) CA2P2RX1P2RX4P2RX7TMPRSS4
SCHEMBL8387507 0.70 CA2 (0.46) CA2GABRA1GABRB2KLKB1ALOX12
SCHEMBL11143059 0.69 ALDH1A1 (0.50) CA2TSHR
SCHEMBL11143057 0.69 ALDH1A1 (0.50) CA2TSHR
SCHEMBL30779693 0.67 KLKB1 (0.51) P2RX1P2RX4P2RX7TMPRSS4KLKB1
SCHEMBL27588848 0.67 KLKB1 (0.40) P2RX1P2RX4P2RX7TMPRSS4KLKB1

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-4418220-A Novel indene compound and novel process for producing indene compounds MITSUI TOATSU CHEMICALS INC. (JP) 1983-11-29 — — US disclosed
US-4366328-A HEAT DECOMPOSITION OF A 1,1,3-TRIMETHYL, 3-HYDROXYPHENYL, HYDROXYINDANE USING AN ACID OR BASIC CATALYST; DEARYLATION; AROMATIZATION MITSUI TOATSU CHEMICALS, INC. (JP) 1982-12-28 — — US disclosed
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