SCHEMBL9068401

SCHEMBL9068401

CC(C)c1cccc(C(C)(C)C)c1OP(OCCN(CCOP(Oc1c(C(C)C)cccc1C(C)(C)C)Oc1c(C(C)C)cccc1C(C)(C)C)CCOP(Oc1c(C(C)C)cccc1C(C)(C)C)Oc1c(C(C)C)cccc1C(C)(C)C)Oc1c(C(C)C)cccc1C(C)(C)C

nearest known ligand 0.39

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
SCN5A Q14524 1/20 0.39
SCN9A Q15858 1/20 0.39
SCN10A Q9Y5Y9 1/20 0.39
ALOX15 P16050 1/20 0.30
TSHR P16473 1/20 0.30
ALDH1A1 P00352 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
SCHEMBL9068223 0.91 KDM4E (0.38) SCN5ASCN9ASCN10AALDH1A1
SCHEMBL9068500 0.77 HTR7 (0.39) SCN5ASCN9ASCN10AALOX15TSHR
SCHEMBL9068488 0.74 CA2 (0.34) TSHRALDH1A1
SCHEMBL7635494 0.71 CA2 (0.40) TSHRALDH1A1
SCHEMBL14560669 0.70 CA2 (0.39) TSHRALDH1A1
SCHEMBL13408064 0.70 ALDH1A1 (0.40) SCN5ASCN9ASCN10AALOX15TSHR
SCHEMBL49976 0.69 GABRA1 (0.42) TSHRALDH1A1
SCHEMBL9068485 0.69 KDM4E (0.33)
SCHEMBL17709416 0.68 TSHR (0.36) TSHRALDH1A1
SCHEMBL11983496 0.68 ALDH1A1 (0.50) ALDH1A1

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-5521237-A HEAT, OXIDATION, AND RADIATION RESISTANT POLYOLEFINS FOR PROTECTIVE COATINGS THAT RESIST DISCOLORATION CIBA-GEIGY CORPORATION (US) 1996-05-28 US disclosed