SCHEMBL6848876

SCHEMBL6848876

O=C1C[C@H](c2cccc(O)c2)Oc2cc(O)ccc21

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP19A1 P11511 10/20 1.00
MAOA P21397 1/20 0.81
MAOB P27338 1/20 0.81
PSMB5 P28074 1/20 0.81
TUBB4A P04350 1/20 0.78
TUBB P07437 1/20 0.78
YES1 P07947 1/20 0.78
TUBA3C P0DPH7 1/20 0.78
TUBA1B P68363 1/20 0.78
TUBA4A P68366 1/20 0.78
TUBB4B P68371 1/20 0.78
TUBB3 Q13509 1/20 0.78
TUBB2A Q13885 1/20 0.78
TUBB8 Q3ZCM7 1/20 0.78
TUBA3E Q6PEY2 1/20 0.78
TUBA1A Q71U36 1/20 0.78
ESR2 Q92731 1/20 0.78
TUBA1C Q9BQE3 1/20 0.78
TUBB6 Q9BUF5 1/20 0.78
TUBB2B Q9BVA1 1/20 0.78

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
SCHEMBL31345776 0.90 CYP19A1 (0.81) CYP19A1MAOAMAOBPSMB5TUBB4A
7-Hydroxyflavanone SCHEMBL130266 0.90 MAOB (1.00) CYP19A1MAOAMAOBPSMB5TUBB4A
SCHEMBL28959130 0.90 CYP19A1 (0.81) CYP19A1MAOAMAOBPSMB5TUBB4A
7-Hydroxyflavanone SCHEMBL1072683 0.90 MAOB (1.00) CYP19A1MAOAMAOBPSMB5TUBB4A
7-Hydroxyflavanone SCHEMBL29843931 0.90 MAOB (1.00) CYP19A1MAOAMAOBPSMB5TUBB4A
7-Hydroxyflavanone SCHEMBL126599 0.90 MAOB (1.00) CYP19A1MAOAMAOBPSMB5TUBB4A
3'-Hydroxyflavanone SCHEMBL5929195 0.88 CYP19A1 (0.79) CYP19A1MAOAMAOBPSMB5TUBB4A
3'-Hydroxyflavanone SCHEMBL15531909 0.88 CYP19A1 (0.79) CYP19A1MAOAMAOBPSMB5TUBB4A
3'-Hydroxyflavanone SCHEMBL5088596 0.88 CYP19A1 (0.79) CYP19A1MAOAMAOBPSMB5TUBB4A
3'-Hydroxyflavanone SCHEMBL29606797 0.88 CYP19A1 (0.79) CYP19A1MAOAMAOBPSMB5TUBB4A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20040086983-A1 Method for producing a heterocyclic compound and an aromatic carboxylic acid having one or more hydroxyl groups, and modified aromatic ring dioxygenase MARINE BIOTHECHNOLOGY INSTITUTE., LTD. (JP) 2004-05-06 US claimed
US-20040086983-A1 Method for producing a heterocyclic compound and an aromatic carboxylic acid having one or more hydroxyl groups, and modified aromatic ring dioxygenase MARINE BIOTHECHNOLOGY INSTITUTE., LTD. (JP) 2004-05-06 US disclosed