SCHEMBL11019348

SCHEMBL11019348

OCc1cc(Cl)ccc1Nc1ccc(OCc2ccccc2)cc1

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SIRT2 Q8IXJ6 1/20 0.51
CTSV O60911 1/20 0.51
CTSL P07711 1/20 0.51
AR P10275 2/20 0.50
PGR P06401 1/20 0.48
ALDH1A1 P00352 3/20 0.46
SMN1; SMN2 Q16637 3/20 0.46
MAOB P27338 3/20 0.46
MAPT P10636 2/20 0.46
NCOA1 Q15788 1/20 0.46
NCOA3 Q9Y6Q9 1/20 0.46
MEN1 O00255 3/20 0.46
KMT2A Q03164 3/20 0.46
CYP1A2 P05177 2/20 0.46
CYP2C19 P33261 2/20 0.46
NPC1 O15118 2/20 0.46
RAB9A P51151 2/20 0.46
POLB P06746 1/20 0.46
ALOX12 P18054 1/20 0.46
HTT P42858 1/20 0.46

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
SCHEMBL11019583 0.85 SMN1; SMN2 (0.57) SIRT2CTSVCTSLARALDH1A1
SCHEMBL11020058 0.84 SIRT2 (0.61) SIRT2CTSVCTSLARALDH1A1
SCHEMBL10834337 0.81 CTSV (0.69) SIRT2CTSVCTSLARSMN1; SMN2
SCHEMBL10934422 0.80 SIRT2 (0.60) SIRT2CTSVCTSLARALDH1A1
SCHEMBL11020507 0.78 MAPT (0.49) SMN1; SMN2MAPTMEN1KMT2APOLB
SCHEMBL2954443 0.74 MAPT (0.60) MAPT
SCHEMBL560896 0.74 MRGPRX4 (0.54) ALDH1A1SMN1; SMN2NPC1RAB9ATP53
SCHEMBL11714868 0.73 MEN1 (0.67) SIRT2ARALDH1A1SMN1; SMN2MAOB
SCHEMBL197223 0.72 LMNA (0.67) ARSMN1; SMN2MAOBMAPTCYP1A2
SCHEMBL695575 0.71 ALOX5 (0.53) SMN1; SMN2MAOBMEN1KMT2ACYP1A2

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-4496590-A TREATMENT OR PREVENTION OF ALLERGIC ASTHMA, ANTI-ASTHMATIC STERLING DRUG INC. (US) 1985-01-29 US claimed
US-4496590-A TREATMENT OR PREVENTION OF ALLERGIC ASTHMA, ANTI-ASTHMATIC STERLING DRUG INC. (US) 1985-01-29 US disclosed
EP-0122518-A1 Phenylaminobenzenealkanols and preparation STERLING DRUG INC. (US) 1984-10-24 EP disclosed