SCHEMBL8472995

SCHEMBL8472995

CCCOC(=O)C(=Cc1ccc(N)cc1)C(=O)OCCC

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 7/20 0.54
MEN1 O00255 6/20 0.54
MAPT P10636 8/20 0.54
LMNA P02545 5/20 0.54
CYP1A2 P05177 3/20 0.54
NPSR1 Q6W5P4 2/20 0.54
CYP2C9 P11712 2/20 0.54
CYP2C19 P33261 2/20 0.54
S1PR4 O95977 1/20 0.54
S1PR1 P21453 1/20 0.54
MAPK1 P28482 1/20 0.54
ALDH1A1 P00352 5/20 0.46
KDM4E B2RXH2 4/20 0.46
SMN1; SMN2 Q16637 2/20 0.46
MITF O75030 1/20 0.46
NR1H4 Q96RI1 1/20 0.45
CYP3A4 P08684 2/20 0.44
TSHR P16473 1/20 0.44
PDE4D Q08499 1/20 0.44
HSP90AA1 P07900 3/20 0.43

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
SCHEMBL6924253 0.87 MEN1 (0.72) KMT2AMEN1MAPTLMNACYP1A2
SCHEMBL12869950 0.85 MEN1 (0.56) KMT2AMEN1MAPTLMNACYP1A2
SCHEMBL15673470 0.85 KMT2A (0.74) KMT2AMEN1MAPTLMNACYP1A2
SCHEMBL31483425 0.83 NR1H4 (0.57) KMT2AMEN1MAPTLMNACYP1A2
SCHEMBL28126890 0.83 KMT2A (0.53) KMT2AMEN1MAPTLMNACYP1A2
SCHEMBL12869948 0.81 NR1H4 (0.56) KMT2AMEN1MAPTLMNACYP1A2
SCHEMBL31483445 0.81 NR1H4 (0.56) KMT2AMEN1MAPTLMNACYP1A2
SCHEMBL5871929 0.81 KMT2A (0.54) KMT2AMEN1MAPTLMNACYP1A2
SCHEMBL28213002 0.81 MEN1 (0.84) KMT2AMEN1MAPTLMNACYP1A2
SCHEMBL2539153 0.79 MEN1 (0.49) KMT2AMEN1MAPTLMNACYP1A2

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-5928630-A PROTECT AGAINST SOLAR RADIATION; ABSORB BOTH ULTRAVIOLET A AND B RADIATION Societe L' Oreal S.A. (FR) 1999-07-27 US disclosed
US-5849909-A Benzalmalonatae/phenylcyanoacrylate-substituted S-triazine compounds SOCIETE L'OREAL S.A. (FR) 1998-12-15 US disclosed