SCHEMBL11590303

SCHEMBL11590303

CCC(c1ccccc1)C(c1ccccc1)(c1ccccc1)c1ccccc1.[BaH2]

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LMNA P02545 1/20 0.43
KCNN4 O15554 1/20 0.38
MIF P14174 1/20 0.36
CYP1A2 P05177 1/20 0.36
CYP3A4 P08684 1/20 0.36
CYP2C9 P11712 1/20 0.36
TSHR P16473 1/20 0.36
CYP2C19 P33261 1/20 0.36
MEN1 O00255 2/20 0.35
KMT2A Q03164 2/20 0.35
NPC1 O15118 1/20 0.35
HKDC1 Q2TB90 1/20 0.35
TRPA1 O75762 1/20 0.35
KIF11 P52732 1/20 0.35
POLB P06746 1/20 0.35
TAAR1 Q96RJ0 3/20 0.34
HTR2A P28223 2/20 0.34
HRH1 P35367 2/20 0.34
RIPK1 Q13546 1/20 0.34
AOC3 Q16853 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
SCHEMBL756292 0.98 LMNA (0.45) LMNAKCNN4MIFCYP1A2CYP3A4
SCHEMBL11588095 0.96 LMNA (0.43) LMNAKCNN4MIFCYP1A2CYP3A4
SCHEMBL6738852 0.82 AOC3 (0.41) LMNAKCNN4MEN1KMT2ANPC1
SCHEMBL28248384 0.81 LMNA (0.45) LMNAKCNN4MIFCYP1A2CYP3A4
SCHEMBL9077582 0.79 LMNA (0.43) LMNAKCNN4MIFCYP1A2CYP3A4
Phosphine SCHEMBL10951511 0.79 LMNA (0.43) LMNAKCNN4MIFCYP1A2CYP3A4
SCHEMBL1176305 0.79 LMNA (0.43) LMNAKCNN4MIFCYP1A2CYP3A4
SCHEMBL7760569 0.79 POLB (0.41) LMNAMEN1KMT2ANPC1POLB
SCHEMBL5072327 0.78 LMNA (0.42) LMNAKCNN4MIFCYP1A2CYP3A4
SCHEMBL2679440 0.78 LMNA (0.42) LMNAKCNN4MIFCYP1A2CYP3A4

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
US-4092268-A POLYMERIZATION CATALYST OF AN ORGANO-LITHIUM INITIATOR, A BARIUM OR STRONTIUM COMPOUND, AND AN ORGANOMETALLIC ALUMINUM OR ZINC COMPOUND COMPAGNIE GENERALE DES ETABLISSEMENTS MICHELIN, RAISON SOCIALE MICHELIN & CIE (FR) 1978-05-30 US claimed
US-4080492-A ORGANOLITHIUM INITIATOR AND COCATALYST CONTAINING BARIUM OR STRONTIUM COMPAGNIE GENERALE DES ETABLISSEMENTS MICHELIN (FR) 1978-03-21 US claimed