SCHEMBL8648170

SCHEMBL8648170

COc1ccc2c(c1)c(CC(=O)O)c(C)n2CCCc1ccccc1

nearest known ligand 0.84

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PLA2G2A P14555 13/20 0.84
PLA2G1B P04054 1/20 0.76
LMNA P02545 3/20 0.64
CYP1A2 P05177 3/20 0.64
CYP2C9 P11712 3/20 0.64
TSHR P16473 3/20 0.64
CYP3A4 P08684 2/20 0.64
CYP2C19 P33261 2/20 0.64
PMP22 Q01453 2/20 0.64
MEN1 O00255 2/20 0.64
KMT2A Q03164 2/20 0.64
NFKB1 P19838 2/20 0.64
HIF1A Q16665 2/20 0.64
RGS12 O14924 1/20 0.64
ALDH1A1 P00352 1/20 0.64
MAPT P10636 1/20 0.64
PKM P14618 1/20 0.64
MAPK1 P28482 1/20 0.64
GNAI1 P63096 1/20 0.64
NPSR1 Q6W5P4 2/20 0.62

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
SCHEMBL8298845 0.90 PLA2G2A (0.78) PLA2G2APLA2G1BLMNACYP1A2CYP2C9
SCHEMBL8291787 0.89 PLA2G2A (1.00) PLA2G2A
SCHEMBL8301171 0.87 PLA2G2A (0.74) PLA2G2APLA2G1BLMNACYP1A2CYP2C9
SCHEMBL7963016 0.86 PLA2G2A (1.00) PLA2G2APLA2G1BLMNACYP1A2CYP2C9
SCHEMBL8296778 0.86 PLA2G2A (0.94) PLA2G2A
SCHEMBL7952654 0.84 PLA2G2A (0.82) PLA2G2APLA2G1BLMNACYP1A2CYP2C9
SCHEMBL9371452 0.84 PLA2G2A (0.82) PLA2G2APLA2G1BLMNACYP1A2CYP2C9
SCHEMBL14446495 0.81 LMNA (0.89) PLA2G2APLA2G1BLMNACYP1A2CYP2C9
SCHEMBL8649132 0.80 LMNA (0.69) PLA2G2APLA2G1BLMNACYP1A2CYP2C9
SCHEMBL7963230 0.80 PLA2G2A (0.86) PLA2G2APLA2G1BLMNACYP1A2CYP2C9

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-0746544-B1 NOVEL INDOLE DERIVATIVES USEFUL TO TREAT ESTROGEN-RELATED NEOPLASMS AND DISORDERS MERRELL PHARMA INC (US) 1998-09-09 EP disclosed