SCHEMBL24739986

SCHEMBL24739986

C=C(C)C(=O)NCCc1ccc(Oc2cc3c4c(cc(Oc5ccc(CCNC(=O)C(=C)C)cc5)c5c6c(Oc7ccc(CCNC(=O)C(=C)C)cc7)cc7c8c(cc(Oc9ccc(CCNC(=O)C(=C)C)cc9)c(c2c45)c86)C(=O)N(CC(=O)NCCOCC)C7=O)C(=O)N(CC(=O)NCCOCC)C3=O)cc1

nearest known ligand 0.40

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
LMNA P02545 3/20 0.40
PCNA P12004 1/20 0.39
ALDH1A1 P00352 4/20 0.39
CA1 P00915 1/20 0.39
CA2 P00918 1/20 0.39
CA9 Q16790 1/20 0.39
CYP3A4 P08684 2/20 0.38
CYP2C9 P11712 2/20 0.38
CYP2C19 P33261 2/20 0.38
PKM P14618 2/20 0.37
CYP1A2 P05177 1/20 0.37
CYP2D6 P10635 1/20 0.37
DDAH1 O94760 1/20 0.37
L3MBTL1 Q9Y468 1/20 0.36
ABL1 P00519 1/20 0.36
RIN1 Q13671 1/20 0.36
POLB P06746 1/20 0.36
RAB9A P51151 1/20 0.35
MAPK1 P28482 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
SCHEMBL24740753 0.92 ALDH1A1 (0.40) LMNAALDH1A1CA1CA2CA9
SCHEMBL24739858 0.91 PIN1 (0.40) LMNAPCNAALDH1A1CYP3A4CYP2C9
SCHEMBL24739987 0.88 PCNA (0.41) LMNAPCNAALDH1A1CA1CA2
SCHEMBL24739857 0.87 LPAR1 (0.43) LMNAALDH1A1CA1CA2CA9
SCHEMBL24739691 0.87 ALDH1A1 (0.43) LMNAALDH1A1CA1CA2CA9
SCHEMBL24739828 0.87 ALDH1A1 (0.41) LMNAALDH1A1CYP3A4CYP2C9CYP2C19
SCHEMBL24740212 0.86 ALDH1A1 (0.44) LMNAALDH1A1CYP3A4CYP2C9CYP2C19
SCHEMBL24740759 0.85 POLB (0.41) LMNAALDH1A1CYP3A4CYP2C9CYP2C19
SCHEMBL24739696 0.84 ALDH1A1 (0.37) LMNAALDH1A1CA1CA2CA9
SCHEMBL24908730 0.83 LMNA (0.40) LMNAPCNAALDH1A1PKM

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
US-20220390841-A1 COMPOUND, PHOTOSENSITIVE FLUORESCENT RESIN COMPOSITION COMPRISING SAME, COLOR CONVERSION FILM, BACKLIGHT UNIT, AND DISPLAY DEVICE LG CHEM, LTD. (KR) 2022-12-08 US disclosed