Sugi Predict

Sugi Predict / Compounds / SCHEMBL7697287

SCHEMBL7697287

SCHEMBL7697287

CC(C)(C)C1(C(=O)O)C2C=CC(C2)C1(C(=O)OC(=O)/C=C\C(=O)OC(=O)C1(C(C)(C)C)C2C=CC(C2)C1(C(=O)O)C(C)(C)C)C(C)(C)C.O=C(OCCC1(C(=O)O)CC2C=CC1C2)C1CC2C=CC1C2

nearest known ligand 0.32

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
▸ ALDH1A1 P00352 2/20 0.32
▸ KMT2A Q03164 2/20 0.32
▸ HPGD P15428 1/20 0.31
▸ POLB P06746 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
SCHEMBL7702304 0.80 — —
SCHEMBL7722403 0.79 — —
SCHEMBL7872949 0.66 KDM4E (0.37) ALDH1A1KMT2A
Acetic Acid SCHEMBL8099722 0.65 — —
SCHEMBL6318871 0.63 KDM4E (0.49) ALDH1A1KMT2AHPGDPOLB
SCHEMBL10388301 0.63 ALDH1A1 (0.53) ALDH1A1KMT2AHPGDPOLB
SCHEMBL13897067 0.63 ALDH1A1 (0.53) ALDH1A1KMT2AHPGDPOLB
SCHEMBL14213298 0.63 ALDH1A1 (0.53) ALDH1A1KMT2AHPGDPOLB
SCHEMBL8613885 0.63 CYP2D6 (0.38) —
SCHEMBL3737244 0.63 CYP2D6 (0.31) —

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-6348296-B1 COPOLYMER CONSISTING OF 2,3-DI-TERT-BUTYL-5-NORBORNENE-2,3-DICARBOXYLATE, ANOTHER NORBORNENE MONOMER, AND MALEIC ANHYDRIDE HYUNDAI ELECTRONICS INDUSTRIES CO., LTD. (KR) 2002-02-19 — — US claimed