Sugi Predict

Sugi Predict / Compounds / SCHEMBL7036041

SCHEMBL7036041

SCHEMBL7036041

CC(C)C1=Cc2c(-c3ccc(C(C)(C)C)cc3)cccc2C1C(C)(C)C1C(C(C)C)=Cc2c(-c3ccc(C(C)(C)C)cc3)cccc21

nearest known ligand 0.33

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
▸ BRD4 O60885 1/20 0.33
▸ CREBBP Q92793 1/20 0.33
▸ AKR1C3 P42330 1/20 0.33
▸ AKR1C2 P52895 1/20 0.33
▸ S1PR1 P21453 1/20 0.32
▸ NPC1 O15118 1/20 0.30
▸ LMNA P02545 1/20 0.30
▸ TP53 P04637 1/20 0.30
▸ RAB9A P51151 1/20 0.30
▸ SMN1; SMN2 Q16637 1/20 0.30

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
SCHEMBL1801597 0.85 BRD4 (0.33) BRD4CREBBPAKR1C3AKR1C2S1PR1
SCHEMBL29922672 0.84 BRD4 (0.33) BRD4CREBBPAKR1C3AKR1C2NPC1
SCHEMBL28755381 0.84 BRD4 (0.33) BRD4CREBBPAKR1C3AKR1C2NPC1
SCHEMBL27663755 0.84 BRD4 (0.33) BRD4CREBBPAKR1C3AKR1C2NPC1
SCHEMBL4469130 0.84 BRD4 (0.33) BRD4CREBBPAKR1C3AKR1C2NPC1
Hydrochloric Acid SCHEMBL28755545 0.83 BRD4 (0.32) BRD4CREBBP
Hydrochloric Acid SCHEMBL5144001 0.83 BRD4 (0.32) BRD4CREBBP
SCHEMBL6892645 0.83 BRD4 (0.34) BRD4CREBBP
Hydrochloric Acid SCHEMBL28755544 0.83 BRD4 (0.32) BRD4CREBBP
Hydrochloric Acid SCHEMBL5143995 0.83 BRD4 (0.32) BRD4CREBBP

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-1133504-B1 METHOD FOR PRODUCING MONOARYLOXY-ANSA-METALLOCENES BASELL POLYOLEFINE GMBH (DE) 2003-03-12 — — EP disclosed