SCHEMBL11670832

SCHEMBL11670832

CCCCN(CCCCOC(=O)Oc1ccccc1)c1ccccc1

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ CNR2 P34972 1/20 0.44
▸ FAAH O00519 6/20 0.44
▸ TSHR P16473 3/20 0.42
▸ TP53 P04637 1/20 0.42
▸ CYP3A4 P08684 1/20 0.42
▸ MAPK1 P28482 1/20 0.42
▸ ALDH1A1 P00352 2/20 0.41
▸ LMNA P02545 1/20 0.41
▸ MTNR1A P48039 2/20 0.40
▸ MTNR1B P49286 2/20 0.40
▸ KDM4E B2RXH2 1/20 0.40
▸ POLB P06746 1/20 0.40
▸ GAA P10253 1/20 0.40
▸ NPC1 O15118 1/20 0.40
▸ JAK2 O60674 1/20 0.40
▸ RAB9A P51151 1/20 0.40
▸ PAX8 Q06710 1/20 0.40
▸ TDP1 Q9NUW8 1/20 0.40
▸ L3MBTL1 Q9Y468 1/20 0.40
▸ BCHE P06276 1/20 0.40

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
SCHEMBL11671095 0.96 CNR2 (0.45) CNR2FAAHTSHRTP53CYP3A4
SCHEMBL11670534 0.93 CNR2 (0.45) CNR2FAAHALDH1A1LMNAMTNR1A
SCHEMBL11670563 0.91 MAOB (0.41) FAAHALDH1A1LMNAMTNR1AMTNR1B
SCHEMBL11670282 0.89 CNR2 (0.42) CNR2FAAHTSHRCYP3A4ALDH1A1
SCHEMBL11672433 0.86 ALDH1A1 (0.41) TSHRCYP3A4ALDH1A1LMNAGAA
SCHEMBL11671802 0.86 CNR2 (0.42) CNR2FAAHTSHRTP53CYP3A4
SCHEMBL11671479 0.86 GAA (0.43) CNR2FAAHGAANPC1RAB9A
SCHEMBL11672523 0.86 PPARG (0.45) CNR2FAAHTP53ALDH1A1LMNA
SCHEMBL11671430 0.85 RAB9A (0.46) CNR2FAAHTSHRCYP3A4MAPK1
SCHEMBL11671780 0.85 MAPT (0.43) CNR2FAAHTSHRCYP3A4ALDH1A1

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-4039526-A PRINTING, POLYACRYLONITRILE, POLYESTERS, POLYAMIDES BAYER AKTIENGESELLSCHAFT (DT) 1977-08-02 — — US disclosed
US-4039539-A 1,2,4-Triazole-azo-aniline cationic dyestuffs BAYER AKTIENGESELLSCHAFT (DT) 1977-08-02 — — US disclosed
Send feedback