SCHEMBL29449205

SCHEMBL29449205

COc1ccc(Cc2cc(Cc3ccc(OC)c(OC)c3)cc(Cc3ccc(OC)c(OC)c3)c2)cc1OC

nearest known ligand 0.91

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CA2 P00918 1/20 0.91
ALDH1A1 P00352 5/20 0.61
GAA P10253 1/20 0.61
ATM Q13315 2/20 0.60
POLB P06746 1/20 0.60
TUBB4A P04350 1/20 0.59
TUBB P07437 1/20 0.59
TUBA3C P0DPH7 1/20 0.59
TUBA1B P68363 1/20 0.59
TUBA4A P68366 1/20 0.59
TUBB4B P68371 1/20 0.59
TUBB3 Q13509 1/20 0.59
TUBB2A Q13885 1/20 0.59
TUBB8 Q3ZCM7 1/20 0.59
TUBA3E Q6PEY2 1/20 0.59
TUBA1A Q71U36 1/20 0.59
TUBA1C Q9BQE3 1/20 0.59
TUBB6 Q9BUF5 1/20 0.59
TUBB2B Q9BVA1 1/20 0.59
TUBB1 Q9H4B7 1/20 0.59

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
SCHEMBL28164756 1.00 CA2 (0.91) CA2ALDH1A1GAAATMPOLB
SCHEMBL2095593 0.95 CA2 (1.00) CA2ALDH1A1GAAATMPOLB
SCHEMBL16181225 0.85 CA2 (0.80) CA2ALDH1A1GAAATMPOLB
SCHEMBL83495 0.85 CA2 (0.80) CA2ALDH1A1GAAATMPOLB
SCHEMBL9828253 0.84 CA2 (0.77) CA2ALDH1A1GAAATMPOLB
Ammonia Solution, Strong SCHEMBL4861530 0.84 CA2 (0.77) CA2ALDH1A1GAAATMPOLB
SCHEMBL9660217 0.82 CA2 (0.74) CA2ALDH1A1GAAATMPOLB
SCHEMBL20169573 0.82 CA2 (0.67) CA2ALDH1A1GAAATMPOLB
SCHEMBL16641094 0.81 CYP19A1 (0.77) CA2ALDH1A1ATMPOLBKDM4E
SCHEMBL31157848 0.81 CYP19A1 (0.77) CA2ALDH1A1ATMPOLBKDM4E

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-120025282-A Synthesis method of N-heterocyclic carbene precursor and metal complex based on nano graphene fragments 西北大学 2025-05-23 CN claimed
CN-120025282-A Synthesis method of N-heterocyclic carbene precursor and metal complex based on nano graphene fragments 西北大学 2025-05-23 CN disclosed
CN-120025282-A Synthesis method of N-heterocyclic carbene precursor and metal complex based on nano graphene fragments 西北大学 2025-05-23 CN disclosed
WO-2022105250-A1 PREPARATION OF CATECHOL-DERIVED POROUS POLYMER AND PHOTOCATALYTIC USE OF CATECHOL-DERIVED POROUS POLYMER-SUPPORTED HIGH-SPIN MONATOMIC IRON 北京航空航天大学 2022-05-27 WO disclosed
CN-112321804-B Preparation of catechol-derived porous polymer and photocatalytic application of catechol-derived porous polymer in loading of high-spin monoatomic iron 北京深云智合科技有限公司 2022-04-12 CN disclosed