SCHEMBL23598230

SCHEMBL23598230

CC(C)(C)Sc1ccc(C(C)(C)C)cc1Sc1ccccc1

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ MAPT P10636 6/20 0.40
▸ GAA P10253 2/20 0.40
▸ PDE7A Q13946 2/20 0.39
▸ PDE7B Q9NP56 1/20 0.39
▸ MEN1 O00255 3/20 0.37
▸ KMT2A Q03164 3/20 0.37
▸ TDP1 Q9NUW8 2/20 0.37
▸ ALDH1A1 P00352 5/20 0.37
▸ HPGD P15428 3/20 0.37
▸ HTT P42858 2/20 0.37
▸ SMN1; SMN2 Q16637 1/20 0.37
▸ NPSR1 Q6W5P4 1/20 0.37
▸ HTR1A P08908 1/20 0.37
▸ HTR3A P46098 1/20 0.37
▸ NPC1 O15118 1/20 0.35
▸ PLA2G1B P04054 1/20 0.35
▸ NFKB1 P19838 1/20 0.35
▸ CASP3 P42574 1/20 0.35
▸ RAB9A P51151 1/20 0.35
▸ NFKB2 Q00653 1/20 0.35

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
SCHEMBL22304466 0.85 TSHR (0.44) MAPTGAAMEN1KMT2ATDP1
SCHEMBL20022733 0.81 HTR1A (0.39) MAPTGAAPDE7APDE7BMEN1
SCHEMBL11555907 0.78 MAPT (0.50) MAPTGAAMEN1KMT2ATDP1
SCHEMBL22991116 0.78 PDE7A (0.50) MAPTGAAPDE7APDE7BMEN1
SCHEMBL22304468 0.72 TSHR (0.41) MAPTGAAMEN1KMT2ATDP1
SCHEMBL2754910 0.72 ALDH1A1 (0.47) MAPTMEN1KMT2ATDP1ALDH1A1
SCHEMBL18210655 0.71 KIF11 (0.44) MAPTKMT2AALDH1A1HPGDNPSR1
SCHEMBL16402888 0.70 MAPT (0.51) MAPTGAAMEN1KMT2ATDP1
SCHEMBL10723607 0.70 MAPT (0.51) MAPTGAAMEN1KMT2ATDP1
Diphenylsulfane SCHEMBL27825185 0.69 ALDH1A1 (0.43) MAPTTDP1ALDH1A1HPGDSMN1; SMN2

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-20210197428-A1 PROCESS FOR MANUFACTURING COMPOSITE ARTICLES SPECIALTY OPERATIONS FRANCE (FR) 2021-07-01 — — US disclosed
Send feedback