SCHEMBL10749977

SCHEMBL10749977

CCC(C(=O)O)C(=O)N(CCC(=O)OC)Cc1ccc([N+](=O)[O-])cc1

nearest known ligand 0.44

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
▸ MC4R P32245 1/20 0.44
▸ CRHBP P24387 1/20 0.43
▸ CRHR2 Q13324 1/20 0.43
▸ MAPT P10636 1/20 0.42
▸ ALDH1A1 P00352 3/20 0.41
▸ LMNA P02545 1/20 0.41
▸ SMN1; SMN2 Q16637 1/20 0.41
▸ MAPK1 P28482 1/20 0.40
▸ KMT2A Q03164 1/20 0.40
▸ TDP1 Q9NUW8 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
SCHEMBL10757422 0.84 ITGB3 (0.37) MAPTALDH1A1LMNAKMT2ATDP1
SCHEMBL10977964 0.81 ALDH1A1 (0.47) CRHBPCRHR2MAPTALDH1A1LMNA
SCHEMBL10749970 0.76 — —
SCHEMBL10753221 0.76 ALDH1A1 (0.48) MAPTALDH1A1LMNASMN1; SMN2KMT2A
SCHEMBL10752287 0.75 MEN1 (0.44) MAPTLMNASMN1; SMN2KMT2A
SCHEMBL10752292 0.74 HDAC6 (0.37) ALDH1A1LMNATDP1
SCHEMBL21461681 0.72 KCNH2 (0.53) MAPTALDH1A1
SCHEMBL10533251 0.71 NR1D1 (0.57) CRHBPCRHR2MAPTALDH1A1
SCHEMBL1350599 0.71 MAPT (0.55) MAPTALDH1A1KMT2ATDP1
SCHEMBL1802673 0.71 CRHBP (0.60) CRHBPCRHR2ALDH1A1LMNASMN1; SMN2

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 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-4663319-A LIVER DISORDERS TANABE SEIYSKU CO., LTD. (JP) 1987-05-05 — — US disclosed
Send feedback