SCHEMBL9839734

SCHEMBL9839734

CCCCN(CCCC)c1ccc(C(=CC(C=C(c2ccc(N(CCCC)CCCC)cc2)c2ccc(N(CCCC)CCCC)cc2)CC(=O)c2ccc(Cl)cc2)c2ccc(N(CCCC)CCCC)cc2)cc1

nearest known ligand 0.44

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
EGFR P00533 2/20 0.44
ERBB2 P04626 2/20 0.44
HDAC3 O15379 1/20 0.39
HDAC1 Q13547 1/20 0.39
HDAC2 Q92769 1/20 0.39
CNR2 P34972 3/20 0.38
HSD17B3 P37058 1/20 0.38
CYP2C9 P11712 1/20 0.38
CYP2C19 P33261 1/20 0.38
POLB P06746 3/20 0.37
MAPT P10636 1/20 0.37
ALDH1A1 P00352 1/20 0.35
TDP1 Q9NUW8 1/20 0.35
BCL2L1 Q07817 1/20 0.35
L3MBTL1 Q9Y468 1/20 0.35
GSK3B P49841 1/20 0.35

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
SCHEMBL9839761 0.93 EGFR (0.42) EGFRERBB2CYP2C9CYP2C19POLB
SCHEMBL9839524 0.89 CNR2 (0.45) EGFRERBB2CNR2HSD17B3POLB
SCHEMBL9838217 0.88 CNR2 (0.43) HDAC3HDAC1HDAC2CNR2CYP2C9
SCHEMBL9839770 0.82 ALDH1A1 (0.54) CYP2C9CYP2C19POLBMAPTALDH1A1
SCHEMBL9840321 0.81 CNR2 (0.43) EGFRERBB2CNR2MAPTALDH1A1
SCHEMBL9839756 0.76 HSD11B1 (0.51) HDAC3HDAC1HDAC2CNR2POLB
SCHEMBL9839720 0.76 EGFR (0.39) EGFRERBB2HDAC3HDAC1HDAC2
SCHEMBL6565246 0.74 EGFR (0.47) EGFRERBB2CNR2
SCHEMBL9838463 0.74 EGFR (0.46) EGFRERBB2HDAC3HDAC1HDAC2
SCHEMBL9749957 0.73 HDAC3 (0.40) EGFRERBB2HDAC3HDAC1HDAC2

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-5057154-A Colorfastness, stability RICOH COMPANY, LTD. (JP) 1991-10-15 US disclosed
US-4939117-A Leuco dyes and recording material employing the same RICOH COMPANY, LTD. (JP) 1990-07-03 US disclosed