SCHEMBL4620169

SCHEMBL4620169

CC=C(c1ccccc1)C(c1ccccc1)c1ccc(OCCO)cc1

nearest known ligand 0.51

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
GAA P10253 1/20 0.51
ALDH1A1 P00352 3/20 0.50
RECQL P46063 1/20 0.50
CYP19A1 P11511 5/20 0.45
NR1I2 O75469 1/20 0.43
NPSR1 Q6W5P4 1/20 0.42
KMT2A Q03164 1/20 0.40
CYP3A4 P08684 2/20 0.39
ESR1 P03372 3/20 0.39
ESR2 Q92731 3/20 0.39
GPR88 Q9GZN0 2/20 0.38
LTA4H P09960 1/20 0.38
CYP2D6 P10635 1/20 0.37
PKM P14618 1/20 0.37
SMN1; SMN2 Q16637 1/20 0.37
MAPT P10636 1/20 0.37
RAB9A P51151 1/20 0.37

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
SCHEMBL7032426 0.89 CYP19A1 (0.51) ALDH1A1CYP19A1NPSR1CYP3A4ESR1
SCHEMBL8611247 0.89 CYP19A1 (0.51) ALDH1A1CYP19A1NPSR1CYP3A4ESR1
SCHEMBL10893461 0.87 ALDH1A1 (0.41) GAAALDH1A1CYP19A1NPSR1KMT2A
SCHEMBL11266486 0.87 ALDH1A1 (0.44) GAAALDH1A1CYP19A1NPSR1KMT2A
SCHEMBL7561836 0.85 GAA (0.48) GAAALDH1A1RECQLCYP19A1NR1I2
SCHEMBL7721313 0.85 GAA (0.48) GAAALDH1A1RECQLCYP19A1NR1I2
SCHEMBL13506110 0.85 GAA (0.48) GAAALDH1A1RECQLCYP19A1NR1I2
SCHEMBL2710225 0.85 CYP2D6 (0.55) ALDH1A1NR1I2NPSR1KMT2ACYP3A4
SCHEMBL7929087 0.85 CYP2D6 (0.55) ALDH1A1NR1I2NPSR1KMT2ACYP3A4
SCHEMBL8732737 0.85 CYP2D6 (0.55) ALDH1A1NR1I2NPSR1KMT2ACYP3A4

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1889639-A2 Methods and compositions containing succinimide or maleimide derivatives of antineoplastic agents, for producing long lasting antineoplastic agents ConjuChem Biotechnologies Inc. (CA) 2008-02-20 EP disclosed
EP-1212120-A2 METHODS AND COMPOSITIONS CONTAINING SUCCINIMIDE OR MALEIMIDE DERIVATIVES OF ANTINEOPLASTIC AGENTS, FOR PRODUCING LONG LASTING ANTINEOPLASTIC AGENTS Conjuchem, Inc. (CA) 2002-06-12 EP disclosed
WO-2001017614-A2 METHODS AND COMPOSITIONS CONTAINING SUCCINIMIDE OR MALEIMIDE DERIVATIVES OF ANTINEOPLASTIC AGENTS CONJUCHEM, INC. (CA) 2001-03-15 WO disclosed