SCHEMBL11736618

SCHEMBL11736618

O=C(O)c1ccc(NC(=O)C2(O)CC2)cc1

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 2/20 0.49
MEN1 O00255 4/20 0.48
KMT2A Q03164 4/20 0.48
RARA P10276 3/20 0.48
RARB P10826 3/20 0.48
TSHR P16473 2/20 0.48
CYP26A1 O43174 2/20 0.48
CYP3A4 P08684 2/20 0.48
RARG P13631 2/20 0.48
CYP1A2 P05177 1/20 0.48
CYP2C9 P11712 1/20 0.48
MAPK1 P28482 1/20 0.48
CYP2C19 P33261 1/20 0.48
MITF O75030 1/20 0.47
POLB P06746 1/20 0.47
EPHX2 P34913 2/20 0.46
FFAR1 O14842 1/20 0.46
HDAC1 Q13547 2/20 0.45
LMNA P02545 1/20 0.45
TDP1 Q9NUW8 1/20 0.45

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
SCHEMBL20096044 0.79 ALDH1A1 (0.52) ALDH1A1MEN1KMT2AMITFPOLB
SCHEMBL8865884 0.75 KMT2A (0.56) MEN1KMT2ATSHRCYP3A4CYP1A2
SCHEMBL28500304 0.74 NPSR1 (0.54) MEN1KMT2ATSHRCYP3A4CYP1A2
SCHEMBL4745756 0.73 EPHX2 (0.71) ALDH1A1MEN1KMT2ATSHRMITF
SCHEMBL9555249 0.73 ALDH1A1 (0.61) ALDH1A1MEN1KMT2ATSHRMITF
SCHEMBL8827340 0.71 MITF (0.81) MEN1KMT2AMITFPOLBFFAR1
SCHEMBL28419632 0.71 MITF (0.81) MEN1KMT2AMITFPOLBFFAR1
SCHEMBL900903 0.71 MITF (0.81) MEN1KMT2AMITFPOLBFFAR1
SCHEMBL8476851 0.70 KMT2A (0.60) ALDH1A1MEN1KMT2ATSHRMITF
Acedoben SCHEMBL24320 0.70 ALDH1A1 (0.68) ALDH1A1MEN1KMT2ATSHRCYP3A4

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
US-4001218-A BACTERICIDES BAYER AKTIENGESELLSCHAFT (DT) 1977-01-04 US disclosed
US-3982011-A ANTIBIOTICS, ANIMAL GROWTH PROMOTERS BAYER AKTIENGESELLSCHAFT (DT) 1976-09-21 US disclosed
US-3931153-A BACTERICIDE BAYER AKTIENGESELLSCHAFT (DT) 1976-01-06 US disclosed