SCHEMBL9557510

SCHEMBL9557510

Cc1ccc(Sc2cccc(Oc3cccc(Sc4ccc(C)cc4C)c3)c2)c(C)c1

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ ALDH1A1 P00352 2/20 0.41
▸ PKM P14618 1/20 0.40
▸ HPGD P15428 1/20 0.40
▸ SMN1; SMN2 Q16637 1/20 0.40
▸ HAO1 Q9UJM8 1/20 0.40
▸ HTT P42858 1/20 0.40
▸ TDP1 Q9NUW8 1/20 0.40
▸ L3MBTL1 Q9Y468 1/20 0.40
▸ HTR1A P08908 10/20 0.39
▸ HTR3A P46098 10/20 0.39
▸ CYP1A2 P05177 2/20 0.38
▸ ADRB2 P07550 2/20 0.38
▸ ADRB1 P08588 2/20 0.38
▸ CYP3A4 P08684 2/20 0.38
▸ CYP2D6 P10635 2/20 0.38
▸ CYP2C9 P11712 2/20 0.38
▸ HRH2 P25021 2/20 0.38
▸ HTR1B P28222 2/20 0.38
▸ HTR2A P28223 2/20 0.38
▸ HTR2C P28335 2/20 0.38

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
SCHEMBL7674839 0.78 HTR1A (0.50) ALDH1A1PKMHPGDSMN1; SMN2HAO1
SCHEMBL20854812 0.78 PDE7A (0.44) ALDH1A1PKMHPGDSMN1; SMN2HAO1
SCHEMBL11823658 0.75 ALDH1A1 (0.54) ALDH1A1SMN1; SMN2HTTTDP1L3MBTL1
SCHEMBL76793 0.73 HAO1 (0.55) PKMHPGDSMN1; SMN2HAO1TDP1
SCHEMBL29475022 0.73 HAO1 (0.55) PKMHPGDSMN1; SMN2HAO1TDP1
SCHEMBL28284333 0.72 TSHR (0.56) ALDH1A1HPGDSMN1; SMN2HTTTDP1
SCHEMBL19086332 0.72 LTA4H (0.47) ALDH1A1HPGDSMN1; SMN2HTTTDP1
SCHEMBL30580497 0.71 HTR1A (0.46) ALDH1A1HAO1HTR1AHTR3ACYP1A2
SCHEMBL11225501 0.71 HTR1A (0.59) PKMHPGDSMN1; SMN2HAO1HTR1A
SCHEMBL13047065 0.70 HTT (0.50) ALDH1A1SMN1; SMN2HTTTDP1L3MBTL1

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-5271858-A Field dependent fluids containing electrically conductive tin oxide coated materials ENSCI INC. (US) 1993-12-21 — — US disclosed
US-3939084-A Functional fluid compositions containing substituted pyrimidines MONSANTO COMPANY (US) 1976-02-17 — — US disclosed
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