SCHEMBL4465971

SCHEMBL4465971

CC1(C)CC2(CC(C)(C)c3c(O)cccc32)c2cccc(O)c21

nearest known ligand 0.35

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TP53 P04637 2/20 0.35
CYP1A2 P05177 2/20 0.35
ACHE P22303 1/20 0.35
ALDH1A1 P00352 3/20 0.33
LMNA P02545 3/20 0.33
HPGD P15428 3/20 0.33
ALOX15 P16050 3/20 0.33
HSD17B10 Q99714 3/20 0.33
EGFR P00533 2/20 0.33
CA2 P00918 2/20 0.33
FYN P06241 2/20 0.33
MMP9 P14780 2/20 0.33
RECQL P46063 2/20 0.33
TDP1 Q9NUW8 2/20 0.33
ADAMTS4 O75173 1/20 0.33
CA1 P00915 1/20 0.33
MMP2 P08253 1/20 0.33
MMP8 P22894 1/20 0.33
CA6 P23280 1/20 0.33
CDK2 P24941 1/20 0.33

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
SCHEMBL11161161 0.85 ACHE (0.41) TP53CYP1A2ACHEALDH1A1LMNA
SCHEMBL4455636 0.83 TP53 (0.39) TP53CYP1A2ACHEALDH1A1LMNA
SCHEMBL29740745 0.83 TP53 (0.39) TP53CYP1A2ACHEALDH1A1LMNA
SCHEMBL9843565 0.79 TP53 (0.36) TP53CYP1A2ACHEALDH1A1LMNA
Pyrogallol SCHEMBL4390779 0.73 ALDH1A1 (0.43) TP53CYP1A2ACHEALDH1A1LMNA
SCHEMBL16021623 0.71 RXRA (0.33) ACHEMEN1KMT2ASMN1; SMN2NOTUM
SCHEMBL18656390 0.71 RXRA (0.33) ACHEMEN1KMT2ASMN1; SMN2NOTUM
SCHEMBL9843567 0.71 TP53 (0.40) TP53CYP1A2ACHEALDH1A1LMNA
SCHEMBL5694129 0.70 HTR2A (0.35) ATMSMN1; SMN2NOTUMPDK2
SCHEMBL29548964 0.70 HTR2A (0.35) ATMSMN1; SMN2NOTUMPDK2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7582355-B2 Optical unit using plastic lenses FUJIFILM CORPORATION (JP) 2009-09-01 US disclosed
US-20060046065-A1 Optical unit using plastic lenses FUJI PHOTO FILM CO., LTD. 2006-03-02 US disclosed
US-6028161-A EXCELLENT TRANSPARENCY, HEAT RESISTANCE AND MECHANICAL PROPERTIES AND A LOW BIREFRINGENCE, MELT FLUIDITY AND MOLDABILITY; AN OPTICAL DISK, LENS AND AN OPTICAL FIBER MITSUI CHEMICALS, INC. (JP) 2000-02-22 US disclosed
EP-0926180-A2 A polycarbonate copolymer and applications thereof Mitsui Chemicals, Inc. (JP) 1999-06-30 EP disclosed