SCHEMBL8605015

SCHEMBL8605015

CC1CC(C(=O)O)(C2CCC3OC3C2)CC2OC12

nearest known ligand 0.34

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PPP5C P53041 1/20 0.34
LMNA P02545 3/20 0.33
PPP1CA P62136 1/20 0.33
MAPK1 P28482 2/20 0.31
TP53 P04637 2/20 0.31
NFKB1 P19838 2/20 0.31
THPO P40225 2/20 0.31
GMNN O75496 2/20 0.31
PMP22 Q01453 2/20 0.31
CYP2C19 P33261 1/20 0.31
STAT6 P42226 1/20 0.31
HIF1A Q16665 1/20 0.31
NPC1 O15118 1/20 0.31
MTOR P42345 1/20 0.31
RAB9A P51151 1/20 0.31
BLM P54132 1/20 0.31
SMN1; SMN2 Q16637 1/20 0.31
NPSR1 Q6W5P4 1/20 0.31
KDM4E B2RXH2 1/20 0.30
TFPI2 P48307 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
SCHEMBL28642293 0.84 PPP5C (0.40) PPP5C
SCHEMBL36696 0.77 TFPI2 (0.34) PPP5CLMNAMAPK1TP53NFKB1
SCHEMBL11771538 0.70 CYP19A1 (0.35)
SCHEMBL217733 0.67 PPM1B (0.34)
SCHEMBL28644478 0.66 LMNA (0.37) PPP5CLMNAPPP1CAMAPK1TP53
SCHEMBL4612128 0.65 PPP5C (0.33) PPP5CLMNAMAPK1TP53NFKB1
SCHEMBL10604194 0.64 CYP19A1 (0.30)
Bicarbonate SCHEMBL2959436 0.64 LMNA (0.38) LMNAPPP1CAMAPK1TP53NFKB1
SCHEMBL7144067 0.64 CYP19A1 (0.34) LMNAMAPK1TP53NFKB1THPO
SCHEMBL28141913 0.63 LMNA (0.41) LMNAPPP1CAMAPK1TP53NFKB1

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
JP-10147776-A None JP disclosed
JP-H10147776-A PHOTOCHROMIC COMPOSITION MATSUI SHIKISO KAGAKU KOGYOSHO:KK 1998-06-02 JP disclosed