SCHEMBL8976801

SCHEMBL8976801

CC(C)(C)c1ccc(OP2N(c3ccccc3)P(Oc3ccc(C(C)(C)C)cc3C(C)(C)C)N2c2ccccc2)c(C(C)(C)C)c1

nearest known ligand 0.37

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
APEX1 P27695 1/20 0.37
NPC1 O15118 2/20 0.34
L3MBTL1 Q9Y468 2/20 0.34
MAPK1 P28482 1/20 0.34
TSHR P16473 2/20 0.33
KIF11 P52732 2/20 0.33
CA1 P00915 1/20 0.33
CA2 P00918 1/20 0.33
CA9 Q16790 1/20 0.33
METAP2 P50579 1/20 0.32
CYP2C19 P33261 2/20 0.32
ALDH1A1 P00352 1/20 0.32
PLA2G1B P04054 1/20 0.32
NFKB1 P19838 1/20 0.32
CASP3 P42574 1/20 0.32
RAB9A P51151 1/20 0.32
NFKB2 Q00653 1/20 0.32
RELA Q04206 1/20 0.32
SENP8 Q96LD8 1/20 0.32
SENP7 Q9BQF6 1/20 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
SCHEMBL8976846 0.82 CYP1A2 (0.35) NPC1L3MBTL1MAPK1TSHRCYP2C19
SCHEMBL8976816 0.78 CA1 (0.36) APEX1NPC1L3MBTL1MAPK1CA1
SCHEMBL8976855 0.73 ALDH1A1 (0.35) L3MBTL1TSHRCA2CYP2C19ALDH1A1
SCHEMBL17796048 0.70 APEX1 (0.35) APEX1CA1CA2CA9CYP2C19
SCHEMBL9240542 0.70 APEX1 (0.38) APEX1NPC1L3MBTL1TSHRKIF11
SCHEMBL6165769 0.70 APEX1 (0.38) APEX1NPC1L3MBTL1TSHRKIF11
SCHEMBL30491175 0.70 APEX1 (0.38) APEX1NPC1L3MBTL1TSHRKIF11
SCHEMBL28425202 0.69 CA1 (0.44) APEX1NPC1L3MBTL1MAPK1TSHR
SCHEMBL6819958 0.69 APEX1 (0.40) APEX1NPC1L3MBTL1MAPK1TSHR
SCHEMBL28445506 0.69 APEX1 (0.40) APEX1NPC1L3MBTL1MAPK1TSHR

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-5534646-A OXIDATION RESISTANCE FOR POLYMERS CIBA-GEIGY CORPORATION (US) 1996-07-09 US claimed
US-5534646-A OXIDATION RESISTANCE FOR POLYMERS CIBA-GEIGY CORPORATION (US) 1996-07-09 US disclosed