SCHEMBL8969862

SCHEMBL8969862

CC(C)(C)c1ccc(Oc2ccc(C(C)(C)C)cc2CC2CO2)c(CC2CO2)c1

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 4/20 0.40
MAPT P10636 3/20 0.40
TP53 P04637 2/20 0.40
HPGD P15428 2/20 0.40
TSHR P16473 2/20 0.40
MEN1 O00255 2/20 0.40
KMT2A Q03164 2/20 0.40
CYP1A2 P05177 2/20 0.40
PPARG P37231 1/20 0.40
HIF1A Q16665 1/20 0.40
KDM4E B2RXH2 4/20 0.38
ATM Q13315 1/20 0.37
RECQL P46063 1/20 0.36
L3MBTL1 Q9Y468 1/20 0.35
CYP2D6 P10635 2/20 0.35
CYP2C19 P33261 2/20 0.35
SMN1; SMN2 Q16637 2/20 0.35
HSD17B10 Q99714 1/20 0.34
CA1 P00915 1/20 0.34
CA2 P00918 1/20 0.34

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
SCHEMBL14973391 0.79 CYP2D6 (0.53) ALDH1A1MAPTTP53HPGDTSHR
SCHEMBL3401890 0.79 SLC6A4 (0.38) ALDH1A1MAPTTP53TSHRHIF1A
SCHEMBL3401884 0.79 SLC6A4 (0.38) ALDH1A1MAPTTP53TSHRHIF1A
SCHEMBL16744115 0.78 TSHR (0.57) ALDH1A1MAPTTP53HPGDTSHR
SCHEMBL30872085 0.78 TSHR (0.57) ALDH1A1MAPTTP53HPGDTSHR
SCHEMBL30899629 0.78 TSHR (0.57) ALDH1A1MAPTTP53HPGDTSHR
SCHEMBL16744363 0.78 TSHR (0.57) ALDH1A1MAPTTP53HPGDTSHR
SCHEMBL5608405 0.76 SLC6A2 (0.34) ALDH1A1SLC6A2SLC6A4SLC6A3
SCHEMBL3403969 0.76 IDO1 (0.42) MAPTHSD17B10CA1CA2CA9
SCHEMBL1027826 0.76 IDO1 (0.42) MAPTHSD17B10CA1CA2CA9

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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0311926-B1 Photopolymerisable composition MORTON INT INC (US) 1996-03-20 EP disclosed
US-4940647-A Photopolymerizable compositions a leuco dye and a leuco dye stabilizer HOECHST AKTIENGESELLSCHAFT (DE) 1990-07-10 US disclosed
EP-0311926-A2 Photopolymerisable composition MORTON INTERNATIONAL, INC. (US) 1989-04-19 EP disclosed