SCHEMBL7438107

SCHEMBL7438107

CCC1(CC)C(=O)N[C@H]1Oc1ccc(CC(=O)O)cc1.C[C@H](N)c1ccccc1

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ ELANE P08246 1/20 0.41
▸ ALOX15 P16050 1/20 0.35
▸ SRD5A2 P31213 1/20 0.35
▸ FFAR1 O14842 3/20 0.35
▸ CFD P00746 1/20 0.35
▸ F11 P03951 1/20 0.35
▸ TPSB2 P20231 1/20 0.35
▸ NPY5R Q15761 1/20 0.34
▸ ALOX5 P09917 1/20 0.34
▸ ALDH1A1 P00352 1/20 0.33
▸ MAPT P10636 1/20 0.33
▸ HPGD P15428 1/20 0.33
▸ CYP3A4 P08684 1/20 0.33
▸ CYP2D6 P10635 1/20 0.33
▸ CYP2C9 P11712 1/20 0.33
▸ CYP2C19 P33261 1/20 0.33
▸ ABCC4 O15439 1/20 0.33
▸ LMNA P02545 1/20 0.33
▸ GAA P10253 1/20 0.33
▸ TSHR P16473 1/20 0.33

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
SCHEMBL7434188 0.88 ELANE (0.43) ELANESRD5A2ALDH1A1HPGDABCC4
SCHEMBL7439317 0.88 ELANE (0.43) ELANESRD5A2ALDH1A1HPGDABCC4
SCHEMBL7422689 0.87 SRD5A1 (0.37) ELANESRD5A2
SCHEMBL7428859 0.78 ALDH1A1 (0.51) ALOX5ALDH1A1HPGD
SCHEMBL8775291 0.78 ALDH1A1 (0.51) ALOX5ALDH1A1HPGD
SCHEMBL9193358 0.76 CYP4F2 (0.42) ELANEALDH1A1MAPTLMNAGAA
SCHEMBL7429922 0.71 MEN1 (0.38) ALDH1A1MAPTHPGDGAATSHR
SCHEMBL11795064 0.69 F2 (0.56) FFAR1ALOX5ALDH1A1MAPTHPGD
Hydrochloric Acid SCHEMBL27574680 0.68 F2 (0.55) FFAR1ALOX5ALDH1A1MAPTHPGD
SCHEMBL8605132 0.66 KDM4E (0.42) ALDH1A1MAPTHPGDCYP2C9LMNA

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
EP-0481671-A1 New substituted azetidinones as anti-inflammatory and antidegenerative agents MERCK & CO. INC. (US) 1992-04-22 — — EP disclosed
Send feedback