SCHEMBL31366698

SCHEMBL31366698

CC(C)(C)c1cc(C(C)(C)C)c(NC(=O)O)c(C(C)(C)C)c1.CC(C)(C)c1cc(C(C)(C)C)c(OC(N)=O)c(C(C)(C)C)c1

nearest known ligand 0.39

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
RXRA P19793 3/20 0.34
PPARG P37231 3/20 0.34
RARG P13631 2/20 0.34
VCAM1 P19320 2/20 0.33
HPGD P15428 1/20 0.33
TSHR P16473 1/20 0.33
RAB9A P51151 1/20 0.33
ELANE P08246 1/20 0.33
CD69 Q07108 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
SCHEMBL150571 0.86 VCAM1 (0.39) RXRAPPARGRARGVCAM1ELANE
SCHEMBL2343577 0.84 TSHR (0.41) RXRAHPGDTSHRRAB9A
SCHEMBL29728524 0.77 RXRA (0.35) RXRAPPARGRARGVCAM1ELANE
SCHEMBL29481500 0.75 HPGD (0.38) RXRAPPARGRARGHPGDTSHR
SCHEMBL28719488 0.75 HPGD (0.38) RXRAPPARGRARGHPGDTSHR
SCHEMBL7223876 0.71 ALDH1A1 (0.52) HPGDTSHRRAB9A
SCHEMBL7225330 0.70 NLRP3 (0.50) HPGDTSHRRAB9A
SCHEMBL3292544 0.70 VCAM1 (0.39) RXRAPPARGRARGVCAM1ELANE
SCHEMBL28188800 0.70 ALDH1A1 (0.38) HPGDTSHRRAB9A
SCHEMBL29728510 0.69 HTR1D (0.39) RXRAHPGDTSHRRAB9AELANE

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
CN-114945572-B HBF pharmacological inducing compounds for the treatment of sickle cell anemia and beta-thalassemia 周美吟 2025-01-28 CN disclosed