SCHEMBL10504229

SCHEMBL10504229

C/C=C(/C)N1CCCCC1

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 6/20 0.40
ALOX12 P18054 2/20 0.40
USP2 O75604 1/20 0.40
LMNA P02545 1/20 0.40
HPGD P15428 3/20 0.39
CA1 P00915 4/20 0.38
CA2 P00918 4/20 0.38
CA12 O43570 3/20 0.38
CA9 Q16790 3/20 0.38
F2 P00734 1/20 0.38
MGLL Q99685 2/20 0.36
PIN1 Q13526 1/20 0.36
PHGDH O43175 1/20 0.36
ALDH2 P05091 1/20 0.36
FBP1 P09467 1/20 0.36
KDM4E B2RXH2 1/20 0.35
TP53 P04637 1/20 0.35
CYP1A2 P05177 1/20 0.35
CYP3A4 P08684 1/20 0.35
CYP2D6 P10635 1/20 0.35

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
SCHEMBL10504234 1.00 ALDH1A1 (0.40) ALDH1A1ALOX12USP2LMNAHPGD
SCHEMBL16188092 1.00 ALDH1A1 (0.40) ALDH1A1ALOX12USP2LMNAHPGD
SCHEMBL12950248 0.97
SCHEMBL10014680 0.97
SCHEMBL16188089 0.91
SCHEMBL16188091 0.84
SCHEMBL9112173 0.78 ALDH1A1 (0.38) ALDH1A1ALOX12USP2LMNAHPGD
SCHEMBL9112178 0.78 ALDH1A1 (0.38) ALDH1A1ALOX12USP2LMNAHPGD
SCHEMBL11798839 0.76 ALDH1A1 (0.41) ALDH1A1ALOX12USP2LMNAHPGD
SCHEMBL11798830 0.76 ALDH1A1 (0.41) ALDH1A1ALOX12USP2LMNAHPGD

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0163227-B1 5-SUBSTITUTED CHROMONES AND THIOCHROMONES MILES INC. (US) 1989-08-02 EP disclosed
US-4639535-A INTERMEDIATES FOR ANTIALLERGENS MILES LABORATORIES, INC. (US) 1987-01-27 US disclosed
US-4571405-A Anti-allergic chromone- or thiochromone-5-oxamic acid derivatives, compositions, and method of use therefor MILES LABORATORIES, INC. (US) 1986-02-18 US disclosed
EP-0163227-A1 5-Substituted chromones and thiochromones MILES INC. (US) 1985-12-04 EP disclosed