SCHEMBL9067541

SCHEMBL9067541

CCC(C)(C)c1ccc(OP(OCCN(CCOP(Oc2ccc(C(C)(C)CC)cc2C(C)(C)CC)Oc2ccc(C(C)(C)CC)cc2C(C)(C)CC)CCOP(Oc2ccc(C(C)(C)CC)cc2C(C)(C)CC)Oc2ccc(C(C)(C)CC)cc2C(C)(C)CC)Oc2ccc(C(C)(C)CC)cc2C(C)(C)CC)c(C(C)(C)CC)c1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ MAPK1 P28482 6/20 0.47
▸ NPSR1 Q6W5P4 5/20 0.47
▸ SMN1; SMN2 Q16637 5/20 0.47
▸ MEN1 O00255 4/20 0.47
▸ KMT2A Q03164 4/20 0.47
▸ ALDH1A1 P00352 1/20 0.47
▸ MAPT P10636 5/20 0.44
▸ HTT P42858 3/20 0.44
▸ UBE2N P61088 2/20 0.44
▸ GLA P06280 1/20 0.44
▸ MITF O75030 1/20 0.44
▸ RAB9A P51151 3/20 0.40
▸ RAD52 P43351 2/20 0.40
▸ STAT3 P40763 1/20 0.40
▸ RCE1 Q9Y256 1/20 0.40
▸ APAF1 O14727 1/20 0.40
▸ HSP90AA1 P07900 1/20 0.40
▸ NOD2 Q9HC29 1/20 0.40
▸ SIRT2 Q8IXJ6 2/20 0.32
▸ NPC1 O15118 2/20 0.32

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
SCHEMBL133717 0.84 MAPK1 (0.54) MAPK1NPSR1SMN1; SMN2MEN1KMT2A
SCHEMBL29443083 0.84 MAPK1 (0.54) MAPK1NPSR1SMN1; SMN2MEN1KMT2A
SCHEMBL9068369 0.82 KDM4E (0.41) MAPK1NPSR1SMN1; SMN2ALDH1A1MAPT
SCHEMBL8394879 0.79 MAPK1 (0.49) MAPK1NPSR1SMN1; SMN2MEN1KMT2A
SCHEMBL798770 0.78 MAPK1 (0.48) MAPK1NPSR1SMN1; SMN2MEN1KMT2A
SCHEMBL798108 0.78 MAPK1 (0.48) MAPK1NPSR1SMN1; SMN2MEN1KMT2A
SCHEMBL29760902 0.78 MAPK1 (0.48) MAPK1NPSR1SMN1; SMN2MEN1KMT2A
SCHEMBL29760889 0.78 MAPK1 (0.48) MAPK1NPSR1SMN1; SMN2MEN1KMT2A
SCHEMBL9350328 0.77 MAPK1 (0.46) MAPK1NPSR1SMN1; SMN2MEN1KMT2A
SCHEMBL11261607 0.77 MAPK1 (0.45) MAPK1NPSR1SMN1; SMN2MEN1KMT2A

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
Send feedback