SCHEMBL8134648

SCHEMBL8134648

C[C@H]1C[C@H](c2c(C(=O)O)ccc(C(=O)O)c2[C@H]2C[C@H](C)CC(C)(C)C2)CC(C)(C)C1

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LMNA P02545 2/20 0.42
NR1I2 O75469 1/20 0.42
ABCB11 O95342 1/20 0.42
ALDH1A1 P00352 5/20 0.40
CYP3A4 P08684 1/20 0.40
CYP1A2 P05177 1/20 0.40
CYP2C9 P11712 1/20 0.40
CYP2C19 P33261 1/20 0.40
HTT P42858 1/20 0.39
IDH1 O75874 6/20 0.36
CCR2 P41597 4/20 0.36
TDP1 Q9NUW8 1/20 0.35
APLNR P35414 1/20 0.34
ALOX15 P16050 1/20 0.34
KDM4E B2RXH2 1/20 0.34
MEN1 O00255 1/20 0.34
GAA P10253 1/20 0.34
MAPT P10636 1/20 0.34
GFER P55789 1/20 0.34
KMT2A Q03164 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
SCHEMBL8134651 1.00 LMNA (0.42) LMNANR1I2ABCB11ALDH1A1CYP3A4
SCHEMBL8131175 1.00 LMNA (0.42) LMNANR1I2ABCB11ALDH1A1CYP3A4
SCHEMBL8131174 1.00 LMNA (0.42) LMNANR1I2ABCB11ALDH1A1CYP3A4
SCHEMBL8131173 1.00 LMNA (0.42) LMNANR1I2ABCB11ALDH1A1CYP3A4
SCHEMBL6442624 0.84 LMNA (0.36) LMNANR1I2ABCB11ALDH1A1CYP3A4
SCHEMBL8132391 0.84 LMNA (0.36) LMNANR1I2ABCB11ALDH1A1CYP3A4
SCHEMBL8124553 0.84 LMNA (0.36) LMNANR1I2ABCB11ALDH1A1CYP3A4
SCHEMBL8133043 0.84 LMNA (0.36) LMNANR1I2ABCB11ALDH1A1CYP3A4
SCHEMBL8132393 0.84 LMNA (0.36) LMNANR1I2ABCB11ALDH1A1CYP3A4
SCHEMBL23071549 0.78 IDH1 (0.40) LMNANR1I2ABCB11ALDH1A1CYP3A4

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
EP-0989162-A1 THERMOPLASTIC RESIN COMPOSITION, WATER-BASED COMPOSITION, HEAT-SENSITIVE PRESSURE-SENSITIVE ADHESIVE, AND HEAT-SENSITIVE SHEET Daicel Chemical Industries, Ltd. (JP) 2000-03-29 EP disclosed