SCHEMBL10995472

SCHEMBL10995472

COc1ccc(Nc2ccc(OCc3ccccc3)cc2)c(C(=O)NCc2ccccc2)c1

nearest known ligand 0.58

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
MAPT P10636 7/20 0.58
MEN1 O00255 4/20 0.58
KMT2A Q03164 4/20 0.58
SIRT2 Q8IXJ6 1/20 0.57
PPARA Q07869 1/20 0.56
ALDH1A1 P00352 2/20 0.55
POLB P06746 2/20 0.55
CTSV O60911 4/20 0.54
CTSL P07711 4/20 0.54
AKR1C3 P42330 1/20 0.53
TSHR P16473 1/20 0.53
TP53 P04637 1/20 0.52
CNR2 P34972 1/20 0.52
SMN1; SMN2 Q16637 2/20 0.51
GAA P10253 1/20 0.51
ALOX12 P18054 1/20 0.51
SGMS2 Q8NHU3 1/20 0.50
LMNA P02545 1/20 0.50
MT-CO2 P00403 1/20 0.50

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
SCHEMBL10988460 0.91 MT-CO2 (0.61) MAPTMEN1KMT2AALDH1A1POLB
SCHEMBL10833896 0.88 CTSV (0.69) MAPTMEN1KMT2ASIRT2ALDH1A1
SCHEMBL10937794 0.86 SIRT2 (0.61) MAPTMEN1KMT2ASIRT2ALDH1A1
SCHEMBL10985039 0.83 MAPT (0.69) MAPTMEN1KMT2AALDH1A1POLB
SCHEMBL10834468 0.83 SIRT2 (0.57) MAPTMEN1KMT2ASIRT2ALDH1A1
SCHEMBL11693283 0.80 SIRT2 (0.54) MAPTMEN1KMT2ASIRT2ALDH1A1
SCHEMBL11019583 0.79 SMN1; SMN2 (0.57) MAPTMEN1KMT2ASIRT2ALDH1A1
SCHEMBL10993168 0.79 SMN1; SMN2 (0.55) MAPTMEN1KMT2ASIRT2ALDH1A1
SCHEMBL28689403 0.78 MT-CO2 (0.72) MAPTMEN1KMT2AALDH1A1POLB
SCHEMBL8834618 0.77 SIRT2 (0.63) MAPTSIRT2ALDH1A1CTSVCTSL

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-4549016-A LIPOXYGENASE INHIBITORS, ANTIALLERGENS, ANTIASTHMA AGENTS STERLING DRUG INC. (US) 1985-10-22 US claimed
US-4549016-A LIPOXYGENASE INHIBITORS, ANTIALLERGENS, ANTIASTHMA AGENTS STERLING DRUG INC. (US) 1985-10-22 US disclosed
US-4510139-A ANTYIALLERGENS; ASTHMA STERLING DRUG INC. (US) 1985-04-09 US disclosed